 | | 7RZ | | Name: | [(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate | | Formula: | C29 H35 B Br N7 O9 P | | SMILES: | CN(CCCOc1ccc(Br)c2[CH](CN)O[B]3(O[CH]4[CH](CO[P](O)(O)=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)c12)Cc7ccccc7 | | InChi: | InChI=1S/C29H35BBrN7O9P/c1-37(13-17-6-3-2-4-7-17)10-5-11-42-19-9-8-18(31)22-20(12-32)45-30(23(19)22)46-25-21(14-43-48(39,40)41)44-29(26(25)47-30)38-16-36-24-27(33)34-15-35-28(24)38/h2-4,6-9,15-16,20-21,25-26,29H,5,10-14,32H2,1H3,(H2,33,34,35)(H2,39,40,41)/t20-,21-,25-,26-,29-/m1/s1 | | Synonyms: | AMP adduct with 3-[[(3S)-3-(aminomethyl)-4-bromanyl-1,3-dihydro-2,1-benzoxaborol-7-yl]oxy]-N-methyl-N-(phenylmethyl)propan-1-amine | | Definition date: | 2023-07-12 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | [(1~{R},3'~{S},5~{S},6~{R},8~{R})-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3~{H}-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate |
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 | | A1AHV | | Name: | 4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol | | Formula: | C26 H23 N O5 S | | SMILES: | O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N1CCc2ccccc21 | | InChi: | InChI=1S/C26H23NO5S/c28-19-9-5-17(6-10-19)24-22-15-23(26(32-22)25(24)18-7-11-20(29)12-8-18)33(30,31)27-14-13-16-3-1-2-4-21(16)27/h1-12,22-23,26,28-29H,13-15H2/t22-,23+,26+/m1/s1 | | Definition date: | 2024-03-11 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol |
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 | | A1AHY | | Name: | (1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide | | Formula: | C31 H33 N O6 S | | SMILES: | O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(c1ccc(OC)cc1)C1CCCCC1 | | InChi: | InChI=1S/C31H33NO6S/c1-37-26-17-11-23(12-18-26)32(22-5-3-2-4-6-22)39(35,36)28-19-27-29(20-7-13-24(33)14-8-20)30(31(28)38-27)21-9-15-25(34)16-10-21/h7-18,22,27-28,31,33-34H,2-6,19H2,1H3/t27-,28+,31+/m1/s1 | | Definition date: | 2024-03-11 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
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 | | A1AHZ | | Name: | (1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide | | Formula: | C31 H33 N O6 S | | SMILES: | O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(c1ccc(OC)cc1)C1CCCCC1 | | InChi: | InChI=1S/C31H33NO6S/c1-37-26-17-11-23(12-18-26)32(22-5-3-2-4-6-22)39(35,36)28-19-27-29(20-7-13-24(33)14-8-20)30(31(28)38-27)21-9-15-25(34)16-10-21/h7-18,22,27-28,31,33-34H,2-6,19H2,1H3/t27-,28+,31+/m0/s1 | | Definition date: | 2024-03-11 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
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 | | A1AOH | | Name: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name) | | Formula: | C42 H55 N7 O6 S | | SMILES: | CC(=O)N(C)C(C(C)C)C(=O)NC1Cc2nc(cs2)c2ccc3n(CC)c(c4cccnc4C(C)OC)c(CC(C)(C)COC(=O)C4CCCN(N4)C1=O)c3c2 | | InChi: | InChI=1S/C42H55N7O6S/c1-10-48-34-16-15-27-19-29(34)30(38(48)28-13-11-17-43-36(28)25(4)54-9)21-42(6,7)23-55-41(53)31-14-12-18-49(46-31)40(52)32(20-35-44-33(27)22-56-35)45-39(51)37(24(2)3)47(8)26(5)50/h11,13,15-17,19,22,24-25,31-32,37,46H,10,12,14,18,20-21,23H2,1-9H3,(H,45,51)/t25-,31+,32-,37?/m0/s1 | | Definition date: | 2024-04-19 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name) |
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 | | A1D46 | | Name: | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one | | Formula: | C21 H20 N4 O2 | | SMILES: | O=C1Nc2cccc(OC3CCNCC3)c2C1=Cc4ccc5[nH]cnc5c4 | | InChi: | InChI=1S/C21H20N4O2/c26-21-15(10-13-4-5-16-18(11-13)24-12-23-16)20-17(25-21)2-1-3-19(20)27-14-6-8-22-9-7-14/h1-5,10-12,14,22H,6-9H2,(H,23,24)(H,25,26) | | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one | | Definition date: | 2023-12-21 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one |
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 | | A1D47 | | Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one | | Formula: | C21 H19 N3 O3 | | SMILES: | O=C1Nc2cccc(OC3CCOCC3)c2C1=Cc4ccc5[nH]cnc5c4 | | InChi: | InChI=1S/C21H19N3O3/c25-21-15(10-13-4-5-16-18(11-13)23-12-22-16)20-17(24-21)2-1-3-19(20)27-14-6-8-26-9-7-14/h1-5,10-12,14H,6-9H2,(H,22,23)(H,24,25)/b15-10- | | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one | | Definition date: | 2023-12-21 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one |
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 | | A1D48 | | Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one | | Formula: | C16 H11 N3 O2 | | SMILES: | Oc1cccc2NC(=O)C(=Cc3ccc4[nH]cnc4c3)c12 | | InChi: | InChI=1S/C16H11N3O2/c20-14-3-1-2-12-15(14)10(16(21)19-12)6-9-4-5-11-13(7-9)18-8-17-11/h1-8,20H,(H,17,18)(H,19,21)/b10-6- | | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one | | Definition date: | 2023-12-21 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one |
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 | | A1D49 | | Name: | (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one | | Formula: | C19 H20 N4 O2 | | SMILES: | CCCOc1ccc(cc1)[CH]2CNC(=O)N2c3ccc4nc[nH]c4c3 | | InChi: | InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1 | | Synonyms: | PQ912 | | Definition date: | 2023-12-22 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one |
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 | | A1D5C | | Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one | | Formula: | C22 H20 N4 O3 | | SMILES: | CC(=O)N1CC[CH](C1)Oc2cccc3NC(=O)C(=Cc4ccc5[nH]cnc5c4)c23 | | InChi: | InChI=1S/C22H20N4O3/c1-13(27)26-8-7-15(11-26)29-20-4-2-3-18-21(20)16(22(28)25-18)9-14-5-6-17-19(10-14)24-12-23-17/h2-6,9-10,12,15H,7-8,11H2,1H3,(H,23,24)(H,25,28)/b16-9-/t15-/m1/s1 | | Definition date: | 2024-01-02 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one |
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 | | A1D5P | | Name: | (2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid | | Formula: | C9 H11 N O4 | | SMILES: | N[CH]([CH](O)c1ccc(O)cc1)C(O)=O | | InChi: | InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m1/s1 | | Synonyms: | (betaS)-beta-hydroxy-D-tyrosine | | Definition date: | 2024-01-26 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid |
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 | | A1H68 | | Name: | (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | | Formula: | C28 H39 N3 O6 | | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(C)c4 | | InChi: | InChI=1S/C28H39N3O6/c1-30-17-19(16-29-30)18-37-28(33)22-12-8-9-13-31(22)27(32)25(20-10-6-5-7-11-20)21-14-23(34-2)26(36-4)24(15-21)35-3/h14-17,20,22,25H,5-13,18H2,1-4H3/t22-,25-/m0/s1 | | Definition date: | 2024-03-28 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (1-methylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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 | | A1H7A | | Name: | (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | | Formula: | C28 H38 N2 O6 S | | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4sc(C)nc4 | | InChi: | InChI=1S/C28H38N2O6S/c1-18-29-16-21(37-18)17-36-28(32)22-12-8-9-13-30(22)27(31)25(19-10-6-5-7-11-19)20-14-23(33-2)26(35-4)24(15-20)34-3/h14-16,19,22,25H,5-13,17H2,1-4H3/t22-,25-/m0/s1 | | Definition date: | 2024-03-28 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (2-methyl-1,3-thiazol-5-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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 | | A1H7B | | Name: | (4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | | Formula: | C28 H38 N2 O6 S | | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4scnc4C | | InChi: | InChI=1S/C28H38N2O6S/c1-18-24(37-17-29-18)16-36-28(32)21-12-8-9-13-30(21)27(31)25(19-10-6-5-7-11-19)20-14-22(33-2)26(35-4)23(15-20)34-3/h14-15,17,19,21,25H,5-13,16H2,1-4H3/t21-,25-/m0/s1 | | Definition date: | 2024-03-28 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (4-methyl-1,3-thiazol-5-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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 | | A1H7E | | Name: | [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | | Formula: | C29 H41 N3 O7 | | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(CCO)c4 | | InChi: | InChI=1S/C29H41N3O7/c1-36-24-15-22(16-25(37-2)27(24)38-3)26(21-9-5-4-6-10-21)28(34)32-12-8-7-11-23(32)29(35)39-19-20-17-30-31(18-20)13-14-33/h15-18,21,23,26,33H,4-14,19H2,1-3H3/t23-,26-/m0/s1 | | Definition date: | 2024-03-28 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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 | | A1H7F | | Name: | (1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | | Formula: | C29 H41 N3 O6 | | SMILES: | CCn1cc(COC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)cn1 | | InChi: | InChI=1S/C29H41N3O6/c1-5-31-18-20(17-30-31)19-38-29(34)23-13-9-10-14-32(23)28(33)26(21-11-7-6-8-12-21)22-15-24(35-2)27(37-4)25(16-22)36-3/h15-18,21,23,26H,5-14,19H2,1-4H3/t23-,26-/m0/s1 | | Definition date: | 2024-03-28 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (1-ethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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 | | A1H7G | | Name: | (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | | Formula: | C30 H43 N3 O6 | | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(c4)C(C)C | | InChi: | InChI=1S/C30H43N3O6/c1-20(2)33-18-21(17-31-33)19-39-30(35)24-13-9-10-14-32(24)29(34)27(22-11-7-6-8-12-22)23-15-25(36-3)28(38-5)26(16-23)37-4/h15-18,20,22,24,27H,6-14,19H2,1-5H3/t24-,27-/m0/s1 | | Definition date: | 2024-03-28 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (1-propan-2-ylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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 | | A1H7U | | Name: | (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | | Formula: | C29 H41 N3 O6 | | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(C)c4C | | InChi: | InChI=1S/C29H41N3O6/c1-19-22(17-30-31(19)2)18-38-29(34)23-13-9-10-14-32(23)28(33)26(20-11-7-6-8-12-20)21-15-24(35-3)27(37-5)25(16-21)36-4/h15-17,20,23,26H,6-14,18H2,1-5H3/t23-,26-/m0/s1 | | Definition date: | 2024-04-05 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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 | | A1LY1 | | Name: | Tasurgratinib | | Formula: | C32 H37 N5 O6 | | SMILES: | CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4)C5CCN(CCO)CC5)c3)c(OCCOC)cc12 | | InChi: | InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39) | | Synonyms: | E-7090 | | Definition date: | 2024-03-12 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 5-[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]carbonylamino]pyridin-4-yl]oxy-6-(2-methoxyethoxy)-~{N}-methyl-indole-1-carboxamide |
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 | | D0D | | Name: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide | | Formula: | C22 H20 Cl N5 O2 S | | SMILES: | Clc1ncc(cc1NS(C)(=O)=O)c1cc2c(NC(C)c3ccccc3)ncnc2cc1 | | InChi: | InChI=1S/C22H20ClN5O2S/c1-14(15-6-4-3-5-7-15)27-22-18-10-16(8-9-19(18)25-13-26-22)17-11-20(21(23)24-12-17)28-31(2,29)30/h3-14,28H,1-2H3,(H,25,26,27)/t14-/m1/s1 | | Definition date: | 2023-04-25 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide |
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 | | ERV | | Name: | 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C8 H8 N4 O | | SMILES: | Cc1cnc2n(c1)ncc2C(N)=O | | InChi: | InChI=1S/C8H8N4O/c1-5-2-10-8-6(7(9)13)3-11-12(8)4-5/h2-4H,1H3,(H2,9,13) | | Definition date: | 2023-06-15 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | EYT | | Name: | [(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-bromanyl-5'-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propoxy]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methyl dihydrogen phosphate | | Formula: | C24 H26 B Br N8 O10 P S | | SMILES: | NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCC(=O)Nc7sccn7)ccc(Br)c16 | | InChi: | InChI=1S/C24H26BBrN8O10PS/c26-11-1-2-12(39-5-3-15(35)33-24-29-4-6-46-24)17-16(11)13(7-27)42-25(17)43-19-14(8-40-45(36,37)38)41-23(20(19)44-25)34-10-32-18-21(28)30-9-31-22(18)34/h1-2,4,6,9-10,13-14,19-20,23H,3,5,7-8,27H2,(H2,28,30,31)(H,29,33,35)(H2,36,37,38)/q-1/t13-,14-,19-,20-,23-,25+/m1/s1 | | Definition date: | 2018-05-04 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | [(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-bromanyl-5'-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propoxy]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methyl dihydrogen phosphate |
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 | | FQ6 | | Name: | 4H-1,3-benzodioxine-6-carbaldehyde | | Formula: | C9 H8 O3 | | SMILES: | O=Cc1ccc2OCOCc2c1 | | InChi: | InChI=1S/C9H8O3/c10-4-7-1-2-9-8(3-7)5-11-6-12-9/h1-4H,5-6H2 | | Synonyms: | 4H-benzo[d][1,3]dioxine-6-carbaldehyde | | Definition date: | 2020-06-12 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 4~{H}-1,3-benzodioxine-6-carbaldehyde |
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 | | I7Q | | Name: | N-{2-[(4R)-2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide | | Formula: | C25 H35 N O4 | | SMILES: | CC(C)C1(CCN(Cc2ccc(OC)cc2)C(=O)c2ccco2)CC(C)(C)OCC1 | | InChi: | InChI=1S/C25H35NO4/c1-19(2)25(13-16-30-24(3,4)18-25)12-14-26(23(27)22-7-6-15-29-22)17-20-8-10-21(28-5)11-9-20/h6-11,15,19H,12-14,16-18H2,1-5H3/t25-/m1/s1 | | Definition date: | 2023-07-31 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | N-{2-[(4R)-2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide |
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 | | JA6 | | Name: | (2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide | | Formula: | C18 H23 F N2 O2 | | SMILES: | CC(=O)N(C1CC1)[CH](C(=O)NC2CCCC2)c3ccc(F)cc3 | | InChi: | InChI=1S/C18H23FN2O2/c1-12(22)21(16-10-11-16)17(13-6-8-14(19)9-7-13)18(23)20-15-4-2-3-5-15/h6-9,15-17H,2-5,10-11H2,1H3,(H,20,23)/t17-/m1/s1 | | Definition date: | 2021-05-07 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (2~{R})-~{N}-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide |
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