 | | ZSF | | Name: | adenosine 5'-heptaphosphate | | Formula: | C10 H20 N5 O25 P7 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C10H20N5O25P7/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(34-10)1-33-42(21,22)36-44(25,26)38-46(29,30)40-47(31,32)39-45(27,28)37-43(23,24)35-41(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2023-03-28 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine |
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 | | VOB | | Name: | ~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine | | Formula: | C12 H18 N2 O3 | | SMILES: | CCN(CC)CCOc1ccc(cc1)[N+4](=O)=O | | InChi: | InChI=1S/C12H18N2O3/c1-3-13(4-2)9-10-17-12-7-5-11(6-8-12)14(15)16/h5-8H,3-4,9-10H2,1-2H3/q+4 | | Definition date: | 2023-03-21 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | ~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine |
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 | | VOF | | Name: | (2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone | | Formula: | C10 H8 F2 N3 O | | SMILES: | F[CH](n1c[n](F)cn1)C(=O)c2ccccc2 | | InChi: | InChI=1S/C10H8F2N3O/c11-10(15-7-14(12)6-13-15)9(16)8-4-2-1-3-5-8/h1-7,10H/t10-/m0/s1 | | Definition date: | 2023-03-21 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone |
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 | | W5F | | Name: | ALX5407 | | Formula: | C24 H24 F N O3 | | SMILES: | CN(CC[CH](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O | | InChi: | InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1 | | Synonyms: | 2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid | | Definition date: | 2023-09-20 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid |
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 | | W5O | | Name: | SSR504734 | | Formula: | C20 H20 Cl F3 N2 O | | SMILES: | FC(F)(F)c1cccc(C(=O)N[CH]([CH]2CCCCN2)c3ccccc3)c1Cl | | InChi: | InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m1/s1 | | Synonyms: | 2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide | | Definition date: | 2023-09-20 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide |
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 | | W5X | | Name: | PF-3463275 | | Formula: | C19 H22 Cl F N4 O | | SMILES: | CN1C[CH]2[CH](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4 | | InChi: | InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15- | | Synonyms: | ~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide | | Definition date: | 2023-09-20 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | ~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide |
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 | | ZUJ | | Name: | 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide | | Formula: | C17 H16 N2 O6 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccc2CCC(=O)Oc2c1 | | InChi: | InChI=1S/C17H16N2O6S/c18-26(22,23)14-6-3-12(4-7-14)19-16(20)10-24-13-5-1-11-2-8-17(21)25-15(11)9-13/h1,3-7,9H,2,8,10H2,(H,19,20)(H2,18,22,23) | | Synonyms: | coumarin benzene sulfonamide SG1-51 | | Definition date: | 2023-04-04 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide |
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 | | ZUS | | Name: | 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide | | Formula: | C18 H16 N2 O6 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)CNC(=O)COc1ccc2C=CC(=O)Oc2c1 | | InChi: | InChI=1S/C18H16N2O6S/c19-27(23,24)15-6-1-12(2-7-15)10-20-17(21)11-25-14-5-3-13-4-8-18(22)26-16(13)9-14/h1-9H,10-11H2,(H,20,21)(H2,19,23,24) | | Definition date: | 2023-04-04 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide |
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 | | ZV7 | | Name: | 2-chloro-N-(3-oxopropyl)acetohydrazide | | Formula: | C5 H9 Cl N2 O2 | | SMILES: | ClCC(=O)N(N)CCC=O | | InChi: | InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2 | | Definition date: | 2023-04-06 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-chloro-N-(3-oxopropyl)acetohydrazide |
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 | | XP6 | | Name: | Norbaeocystin | | Formula: | C10 H13 N2 O4 P | | SMILES: | NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12 | | InChi: | InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15) | | Synonyms: | [3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate | | Definition date: | 2023-06-08 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate |
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 | | XPN | | Name: | Baeocystin | | Formula: | C11 H15 N2 O4 P | | SMILES: | CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12 | | InChi: | InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16) | | Synonyms: | [3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate | | Definition date: | 2023-06-08 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate |
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 | | X8Q | | Name: | [3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate | | Formula: | C12 H17 N2 O4 P | | SMILES: | CN(C)CCc1c[nH]c2cccc(O[P](O)(O)=O)c12 | | InChi: | InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17) | | Definition date: | 2023-10-25 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate |
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 | | WSP | | Name: | Spiroimine (-)-4 S | | Formula: | C13 H21 N O2 | | SMILES: | CC1=NCCC[C]12CCCCC23OCCO3 | | InChi: | InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m0/s1 | | Synonyms: | (6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene | | Definition date: | 2023-10-11 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene |
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 | | XB5 | | Name: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide | | Formula: | C29 H36 N6 O2 | | SMILES: | CCn1ccc(n1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C29H36N6O2/c1-7-35-11-10-28(32-35)24-15-22(14-23(16-24)25-18-30-34(6)19-25)21(3)31-29(36)27-17-26(9-8-20(27)2)37-13-12-33(4)5/h8-11,14-19,21H,7,12-13H2,1-6H3,(H,31,36) | | Definition date: | 2023-10-26 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide |
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 | | XCE | | Name: | ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | | Formula: | C23 H22 Cl2 N6 O2 | | SMILES: | Clc1cc([NH]c1Cl)C(=O)NC(CCc1ccccc1)C(=O)NC(C)c1cn2cccnc2n1 | | InChi: | InChI=1S/C23H22Cl2N6O2/c1-14(19-13-31-11-5-10-26-23(31)30-19)27-21(32)17(9-8-15-6-3-2-4-7-15)29-22(33)18-12-16(24)20(25)28-18/h2-7,10-14,17,28H,8-9H2,1H3,(H,27,32)(H,29,33)/t14-,17-/m0/s1 | | Definition date: | 2023-10-30 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 4,5-dichloro-N-[(2S)-1-({(1S)-1-[(4S)-imidazo[1,2-a]pyrimidin-2-yl]ethyl}amino)-1-oxo-4-phenylbutan-2-yl]-1H-pyrrole-2-carboxamide |
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 | | XCW | | Name: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide | | Formula: | C23 H26 Cl2 N4 O4 | | SMILES: | Clc1cc([NH]c1Cl)C(=O)NC(C1CCCCC1)C(=O)NC1COc2ccccc2N(C)C1=O | | InChi: | InChI=1S/C23H26Cl2N4O4/c1-29-17-9-5-6-10-18(17)33-12-16(23(29)32)27-22(31)19(13-7-3-2-4-8-13)28-21(30)15-11-14(24)20(25)26-15/h5-6,9-11,13,16,19,26H,2-4,7-8,12H2,1H3,(H,27,31)(H,28,30)/t16-,19-/m0/s1 | | Definition date: | 2023-10-30 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide |
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 | | YEE | | Name: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide | | Formula: | C27 H31 F N4 O2 | | SMILES: | COc1cc(cc(F)c1C(N)=O)c2cncc(c2C)c3ccc(cc3)N4CCN(CC4)C(C)C | | InChi: | InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33) | | Definition date: | 2023-12-03 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide |
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 | | XWO | | Name: | N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | | Formula: | C28 H34 N6 O2 | | SMILES: | Cn1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C28H34N6O2/c1-19-7-8-26(36-10-9-32(3)4)14-27(19)28(35)31-20(2)21-11-22(24-15-29-33(5)17-24)13-23(12-21)25-16-30-34(6)18-25/h7-8,11-18,20H,9-10H2,1-6H3,(H,31,35) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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 | | WY0 | | Name: | (5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione | | Formula: | C20 H19 N3 O4 | | SMILES: | CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3cccc4OCC5(CC5)c34)nc2 | | InChi: | InChI=1S/C20H19N3O4/c1-2-13-18(24)23(19(25)22-13)12-6-7-16(21-10-12)27-15-5-3-4-14-17(15)20(8-9-20)11-26-14/h3-7,10,13H,2,8-9,11H2,1H3,(H,22,25)/t13-/m1/s1 | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (5~{R})-5-ethyl-3-(6-spiro[2~{H}-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione |
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 | | XXW | | Name: | N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-[1-(methoxymethyl)-1H-pyrazol-4-yl]phenyl}ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | | Formula: | C29 H34 F2 N6 O3 | | SMILES: | FC(F)n1cc(cn1)c1cc(cc(c1)c1cn(COC)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C29H34F2N6O3/c1-19-6-7-26(40-9-8-35(3)4)13-27(19)28(38)34-20(2)21-10-22(24-14-32-36(16-24)18-39-5)12-23(11-21)25-15-33-37(17-25)29(30)31/h6-7,10-17,20,29H,8-9,18H2,1-5H3,(H,34,38) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-[1-(methoxymethyl)-1H-pyrazol-4-yl]phenyl}ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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 | | WY9 | | Name: | (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione | | Formula: | C18 H19 N3 O4 | | SMILES: | CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3ccc(C)c(OC)c3)nc2 | | InChi: | InChI=1S/C18H19N3O4/c1-4-14-17(22)21(18(23)20-14)12-6-8-16(19-10-12)25-13-7-5-11(2)15(9-13)24-3/h5-10,14H,4H2,1-3H3,(H,20,23)/t14-/m1/s1 | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (5~{R})-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione |
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 | | XYI | | Name: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide | | Formula: | C30 H38 N6 O2 | | SMILES: | CC(C)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C30H38N6O2/c1-20(2)36-19-27(17-32-36)25-13-23(12-24(14-25)26-16-31-35(7)18-26)22(4)33-30(37)29-15-28(9-8-21(29)3)38-11-10-34(5)6/h8-9,12-20,22H,10-11H2,1-7H3,(H,33,37) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide |
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 | | XYR | | Name: | N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | | Formula: | C28 H32 F2 N6 O2 | | SMILES: | FC(F)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C28H32F2N6O2/c1-18-6-7-25(38-9-8-34(3)4)13-26(18)27(37)33-19(2)20-10-21(23-14-31-35(5)16-23)12-22(11-20)24-15-32-36(17-24)28(29)30/h6-7,10-17,19,28H,8-9H2,1-5H3,(H,33,37) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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 | | MKX | | Name: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C15 H19 N6 O10 P | | SMILES: | C[CH](O)[CH]1NC(=O)N(C1=O)c2ncnc3n(cnc23)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O | | InChi: | InChI=1S/C15H19N6O10P/c1-5(22)7-13(25)21(15(26)19-7)12-8-11(16-3-17-12)20(4-18-8)14-10(24)9(23)6(31-14)2-30-32(27,28)29/h3-7,9-10,14,22-24H,2H2,1H3,(H,19,26)(H2,27,28,29)/t5-,6-,7+,9-,10-,14-/m1/s1 | | Synonyms: | cyclic N6-threonylcarbamoyladenosine 5'-monophosphate | | Definition date: | 2022-12-26 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate |
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 | | OBX | | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C14 H27 N7 O7 P | | SMILES: | NC(=N)NCCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | | InChi: | InChI=1S/C14H26N7O7P/c15-9-3-6-21(14(20-9)19-5-2-1-4-18-13(16)17)12-11(23)10(22)8(28-12)7-27-29(24,25)26/h3,6,8,10-12,22-23H,1-2,4-5,7H2,(H8,15,16,17,18,19,20,24,25,26)/p+1/t8-,10-,11-,12-/m1/s1 | | Synonyms: | agmatidine | | Definition date: | 2023-01-30 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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