 | | USR | | Name: | methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside | | Formula: | C18 H31 N O15 | | SMILES: | OCC(O)C(O)C1OC(OC2C(O)C(OC)OC(CO)C2O)(CC(O)C1NC(=O)CO)C(=O)O | | InChi: | InChI=1S/C18H31NO15/c1-31-16-13(28)15(12(27)8(4-21)32-16)34-18(17(29)30)2-6(23)10(19-9(25)5-22)14(33-18)11(26)7(24)3-20/h6-8,10-16,20-24,26-28H,2-5H2,1H3,(H,19,25)(H,29,30)/t6-,7-,8+,10+,11+,12-,13-,14+,15-,16+,18-/m0/s1 | | Definition date: | 2023-09-06 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside |
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 | | W4I | | Name: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate | | Formula: | C53 H82 O15 | | SMILES: | CCC=CCC=CCC=CCC=CCCCCC(=O)O[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC | | InChi: | InChI=1S/C53H82O15/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-44(55)63-38-41(66-45(56)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h5-8,11-14,17-19,21-23,26-29,41-43,46-54,57-62H,3-4,9-10,15-16,20,24-25,30-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-,42-,43-,46+,47+,48+,49+,50-,51-,52-,53+/m1/s1 | | Definition date: | 2023-04-27 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate |
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 | | W4O | | Name: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate | | Formula: | C51 H80 O15 | | SMILES: | CCC=CCC=CCC=CCC=CCCCCC(=O)OC[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC | | InChi: | InChI=1S/C51H80O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1 | | Definition date: | 2023-04-27 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate |
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 | | W6E | | Name: | 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine | | Formula: | C10 H8 N6 | | SMILES: | Nc1ncc2ccc(cc2n1)c3[nH]nnc3 | | InChi: | InChI=1S/C10H8N6/c11-10-12-4-7-2-1-6(3-8(7)14-10)9-5-13-16-15-9/h1-5H,(H2,11,12,14)(H,13,15,16) | | Definition date: | 2023-05-09 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine |
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 | | W6T | | Name: | quinazolin-2-amine | | Formula: | C8 H7 N3 | | SMILES: | Nc1ncc2ccccc2n1 | | InChi: | InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11) | | Definition date: | 2023-05-09 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | quinazolin-2-amine |
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 | | WGH | | Name: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone | | Formula: | C17 H11 I3 O3 | | SMILES: | CCc1oc2cccc(I)c2c1C(=O)c3cc(I)c(O)c(I)c3 | | InChi: | InChI=1S/C17H11I3O3/c1-2-12-15(14-9(18)4-3-5-13(14)23-12)16(21)8-6-10(19)17(22)11(20)7-8/h3-7,22H,2H2,1H3 | | Definition date: | 2023-10-03 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone |
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 | | WGJ | | Name: | [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone | | Formula: | C17 H10 Cl2 I2 O3 | | SMILES: | CCc1oc2c(Cl)ccc(Cl)c2c1C(=O)c3cc(I)c(O)c(I)c3 | | InChi: | InChI=1S/C17H10Cl2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3 | | Definition date: | 2023-10-03 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone |
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 | | WH0 | | Name: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone | | Formula: | C17 H10 F2 I2 O3 | | SMILES: | CCc1oc2c(F)ccc(F)c2c1C(=O)c3cc(I)c(O)c(I)c3 | | InChi: | InChI=1S/C17H10F2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3 | | Definition date: | 2023-10-03 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone |
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 | | WSO | | Name: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | | Formula: | C27 H36 N4 O3 | | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)ccc3OC)c2C)c(OC(C)CCC)cc1 | | InChi: | InChI=1S/C27H36N4O3/c1-9-10-18(3)34-23-14-12-20(27(5,6)7)16-21(23)28-26(32)25-19(4)31(30-29-25)22-15-17(2)11-13-24(22)33-8/h11-16,18H,9-10H2,1-8H3,(H,28,32)/t18-/m0/s1 | | Definition date: | 2023-05-17 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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 | | WSX | | Name: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | | Formula: | C28 H38 N4 O4 | | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1 | | InChi: | InChI=1S/C28H38N4O4/c1-9-11-20(10-2)36-24-14-12-19(28(4,5)6)16-22(24)29-27(33)26-18(3)32(31-30-26)23-17-21(34-7)13-15-25(23)35-8/h12-17,20H,9-11H2,1-8H3,(H,29,33)/t20-/m0/s1 | | Definition date: | 2023-05-17 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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 | | WT1 | | Name: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide | | Formula: | C29 H40 N4 O5 | | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(OC)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1 | | InChi: | InChI=1S/C29H40N4O5/c1-10-12-20(11-2)38-23-14-13-19(29(4,5)6)15-21(23)30-28(34)27-18(3)33(32-31-27)22-16-25(36-8)26(37-9)17-24(22)35-7/h13-17,20H,10-12H2,1-9H3,(H,30,34)/t20-/m0/s1 | | Definition date: | 2023-05-17 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
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 | | WU2 | | Name: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | | Formula: | C29 H40 N4 O4 | | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1 | | InChi: | InChI=1S/C29H40N4O4/c1-10-12-21(11-2)37-24-14-13-20(29(5,6)7)16-22(24)30-28(34)27-19(4)33(32-31-27)23-15-18(3)25(35-8)17-26(23)36-9/h13-17,21H,10-12H2,1-9H3,(H,30,34)/t21-/m0/s1 | | Definition date: | 2023-05-18 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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 | | WU6 | | Name: | methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate | | Formula: | C26 H32 N4 O6 | | SMILES: | O=C(OC)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1 | | InChi: | InChI=1S/C26H32N4O6/c1-7-9-18(8-2)36-22-12-10-17(26(32)35-6)14-20(22)27-25(31)24-16(3)30(29-28-24)21-15-19(33-4)11-13-23(21)34-5/h10-15,18H,7-9H2,1-6H3,(H,27,31)/t18-/m0/s1 | | Definition date: | 2023-05-18 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate |
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 | | WV2 | | Name: | mitapivat | | Formula: | C24 H26 N4 O3 S | | SMILES: | O=S(=O)(Nc1ccc(cc1)C(=O)N1CCN(CC2CC2)CC1)c1cccc2cccnc21 | | InChi: | InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2 | | Synonyms: | N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide | | Definition date: | 2023-05-19 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide |
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 | | WXC | | Name: | 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one | | Formula: | C8 H9 N3 O | | SMILES: | Nc1ncc2C(=O)CCCc2n1 | | InChi: | InChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11) | | Definition date: | 2023-05-22 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one |
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 | | XEK | | Name: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione | | Formula: | C28 H19 Cl2 F N4 O4 | | SMILES: | O=C1NC(=O)N(C)C=C1C=1C=C(c2cc(OCc3ccccc3Cl)c(F)c(Cl)c2)C(=O)N(C=1)c1cccnc1 | | InChi: | InChI=1S/C28H19Cl2FN4O4/c1-34-14-21(26(36)33-28(34)38)18-9-20(27(37)35(13-18)19-6-4-8-32-12-19)17-10-23(30)25(31)24(11-17)39-15-16-5-2-3-7-22(16)29/h2-14H,15H2,1H3,(H,33,36,38) | | Definition date: | 2023-10-31 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione |
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 | | XIR | | Name: | (4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine | | Formula: | C23 H24 F N7 | | SMILES: | CN1CCN(CC1)c1ccc(cc1F)n1c2nc(ccc2nc1C)c1ccnc(N)c1 | | InChi: | InChI=1S/C23H24FN7/c1-15-27-20-5-4-19(16-7-8-26-22(25)13-16)28-23(20)31(15)17-3-6-21(18(24)14-17)30-11-9-29(2)10-12-30/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26) | | Definition date: | 2023-06-07 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine |
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 | | Y5I | | Name: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid | | Formula: | C21 H20 F2 N2 O4 S | | SMILES: | Cc1sc(nn1)c2ccc(OCCCOc3ccc(CCC(O)=O)c(F)c3)c(F)c2 | | InChi: | InChI=1S/C21H20F2N2O4S/c1-13-24-25-21(30-13)15-4-7-19(18(23)11-15)29-10-2-9-28-16-6-3-14(17(22)12-16)5-8-20(26)27/h3-4,6-7,11-12H,2,5,8-10H2,1H3,(H,26,27) | | Definition date: | 2023-06-12 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid |
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 | | YDL | | Name: | N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide | | Formula: | C21 H32 F3 N5 O5 | | SMILES: | FC(F)(F)C1CC(C(=O)NC(C=N)CC2CCNC2=O)N(C1)C(=O)C(NC(=O)OC)C(C)(C)C | | InChi: | InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1 | | Synonyms: | Ibuzatrelvir, bound form | | Definition date: | 2023-12-01 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide |
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 | | YFW | | Name: | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine | | Formula: | C13 H18 N2 O | | SMILES: | CN(C)CCc1c[NH]c2ccc(cc21)OC | | InChi: | InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3 | | Definition date: | 2023-01-27 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine |
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 | | YGH | | Name: | 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole | | Formula: | C15 H19 F N2 O | | SMILES: | COc1ccc2[NH]cc(CCN3CCCC3)c2c1F | | InChi: | InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3 | | Definition date: | 2023-01-28 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole |
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 | | YGO | | Name: | (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | | Formula: | C28 H38 N4 O4 | | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1 | | InChi: | InChI=1S/C28H38N4O4/c1-9-11-20(10-2)36-24-14-12-19(28(4,5)6)16-22(24)29-27(33)26-18(3)32(31-30-26)23-17-21(34-7)13-15-25(23)35-8/h12-17,20H,9-11H2,1-8H3,(H,29,33)/t20-/m1/s1 | | Definition date: | 2023-06-14 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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 | | YLX | | Name: | Buspirone | | Formula: | C21 H31 N5 O2 | | SMILES: | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | | InChi: | InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 | | Synonyms: | Buspirone | | Definition date: | 2023-02-09 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione |
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 | | A1AJE | | Name: | (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid | | Formula: | C8 H9 N O4 S | | SMILES: | OS(=O)c1cc(c(OC)cc1)C(N)=O | | InChi: | InChI=1S/C8H9NO4S/c1-13-7-3-2-5(14(11)12)4-6(7)8(9)10/h2-4H,1H3,(H2,9,10)(H,11,12) | | Definition date: | 2024-04-03 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid |
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 | | A1AJF | | Name: | 4-[(3S)-3-(1H-1,2,4-triazol-1-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C12 H13 N7 | | SMILES: | C1CC(CN1c1ncnc2[NH]ccc21)n1cncn1 | | InChi: | InChI=1S/C12H13N7/c1-3-14-11-10(1)12(16-7-15-11)18-4-2-9(5-18)19-8-13-6-17-19/h1,3,6-9H,2,4-5H2,(H,14,15,16)/t9-/m0/s1 | | Definition date: | 2024-04-03 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 4-[(3S)-3-(1H-1,2,4-triazol-1-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
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