 | | 2JP | | Name: | 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid | | Formula: | C13 H12 N2 O3 | | SMILES: | O=C(O)CCC(=O)Nc2ncc1ccccc1c2 | | InChi: | InChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-11-7-9-3-1-2-4-10(9)8-14-11/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16) | | Definition date: | 2013-11-06 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid |
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 | | WB4 | | Name: | N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide | | Formula: | C30 H29 N5 O2 S2 | | SMILES: | C(NC(=O)c1cncs1)(CCCCNC(=O)c2c(cccc2)SC)c3nc(cn3)c4cc5ccccc5cc4 | | InChi: | InChI=1S/C30H29N5O2S2/c1-38-26-12-5-4-10-23(26)29(36)32-15-7-6-11-24(35-30(37)27-18-31-19-39-27)28-33-17-25(34-28)22-14-13-20-8-2-3-9-21(20)16-22/h2-5,8-10,12-14,16-19,24H,6-7,11,15H2,1H3,(H,32,36)(H,33,34)(H,35,37)/t24-/m0/s1 | | Definition date: | 2020-10-06 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide |
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 | | WBA | | Name: | N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide | | Formula: | C29 H26 F N5 O3 S | | SMILES: | c5ccc(c(C(NCCCCC(c1nc(cn1)c3ccc2ccccc2c3)NC(c4cncs4)=O)=O)c5O)F | | InChi: | InChI=1S/C29H26FN5O3S/c30-21-8-5-10-24(36)26(21)29(38)32-13-4-3-9-22(35-28(37)25-16-31-17-39-25)27-33-15-23(34-27)20-12-11-18-6-1-2-7-19(18)14-20/h1-2,5-8,10-12,14-17,22,36H,3-4,9,13H2,(H,32,38)(H,33,34)(H,35,37)/t22-/m0/s1 | | Definition date: | 2020-10-07 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide |
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 | | WBD | | Name: | 2,5-dichloro-1H-benzimidazole | | Formula: | C7 H4 Cl2 N2 | | SMILES: | c21c(nc(Cl)n1)ccc(c2)Cl | | InChi: | InChI=1S/C7H4Cl2N2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11) | | Definition date: | 2020-10-07 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 2,5-dichloro-1H-benzimidazole |
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 | | P3K | | Name: | 2,3-bis(oxidanyl)benzenecarbonitrile | | Formula: | C7 H5 N O2 | | SMILES: | Oc1cccc(C#N)c1O | | InChi: | InChI=1S/C7H5NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H | | Definition date: | 2020-04-14 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 2,3-bis(oxidanyl)benzenecarbonitrile |
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 | | XM7 | | Name: | 5'-O-[(R)-hydroxy(methoxy)phosphoryl]adenosine | | Formula: | C11 H16 N5 O7 P | | SMILES: | c1nc3c(c(n1)N)ncn3C2C(C(C(O2)COP(OC)(O)=O)O)O | | InChi: | InChI=1S/C11H16N5O7P/c1-21-24(19,20)22-2-5-7(17)8(18)11(23-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | | Definition date: | 2020-12-18 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 5'-O-[(R)-hydroxy(methoxy)phosphoryl]adenosine |
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 | | XNJ | | Name: | N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide | | Formula: | C27 H28 N6 O S | | SMILES: | C1N(CCNC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(c3)Nc4scc(n4)c5cccnc5 | | InChi: | InChI=1S/C27H28N6OS/c1-19-4-9-23(15-24(19)31-27-32-25(18-35-27)22-3-2-10-29-16-22)30-26(34)21-7-5-20(6-8-21)17-33-13-11-28-12-14-33/h2-10,15-16,18,28H,11-14,17H2,1H3,(H,30,34)(H,31,32) | | Synonyms: | demethylated masitinib | | Definition date: | 2020-12-22 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide |
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 | | G5O | | Name: | 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid | | Formula: | C20 H14 Cl N O5 S | | SMILES: | OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)[S](=O)(=O)c3ccccc3 | | InChi: | InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25) | | Definition date: | 2020-07-28 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid |
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 | | ODG | | Name: | 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile | | Formula: | C20 H21 N5 O | | SMILES: | c4(ccc(N3CCN(C(Cc2ccc(C1CC1)cc2)=O)CC3)nn4)C#N | | InChi: | InChI=1S/C20H21N5O/c21-14-18-7-8-19(23-22-18)24-9-11-25(12-10-24)20(26)13-15-1-3-16(4-2-15)17-5-6-17/h1-4,7-8,17H,5-6,9-13H2 | | Definition date: | 2019-06-20 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile |
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 | | QU7 | | Name: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol | | Formula: | C28 H34 O | | SMILES: | C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC | | InChi: | InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1 | | Synonyms: | SS-RJW100 | | Definition date: | 2019-12-20 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol |
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 | | QFN | | Name: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one | | Formula: | C22 H21 Cl N4 O2 | | SMILES: | CN1C=C(C=C(C)C1=O)N2[CH](c3ccc(Cl)cc3)c4c(C)nn(C5CC5)c4C2=O | | InChi: | InChI=1S/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(16-8-9-16)20(18)22(26)29/h4-7,10-11,16,19H,8-9H2,1-3H3/t19-/m1/s1 | | Definition date: | 2020-06-15 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one |
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 | | QRM | | Name: | 3-aminocyclohexa-1,3-diene-1-carboxylic acid | | Formula: | C7 H9 N O2 | | SMILES: | C(=O)(O)C=1CCC=C(C=1)N | | InChi: | InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h3-4H,1-2,8H2,(H,9,10) | | Definition date: | 2019-12-11 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-16 | | Identifier: | 3-aminocyclohexa-1,3-diene-1-carboxylic acid |
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 | | QRN | | Name: | 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol | | Formula: | C16 H15 N O2 S | | SMILES: | COc1ccc(CCc2sc3ccccc3n2)cc1O | | InChi: | InChI=1S/C16H15NO2S/c1-19-14-8-6-11(10-13(14)18)7-9-16-17-12-4-2-3-5-15(12)20-16/h2-6,8,10,18H,7,9H2,1H3 | | Definition date: | 2020-07-30 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol |
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 | | QRQ | | Name: | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole | | Formula: | C18 H19 N O3 S | | SMILES: | COc1cc(CCc2sc3ccccc3n2)cc(OC)c1OC | | InChi: | InChI=1S/C18H19NO3S/c1-20-14-10-12(11-15(21-2)18(14)22-3)8-9-17-19-13-6-4-5-7-16(13)23-17/h4-7,10-11H,8-9H2,1-3H3 | | Definition date: | 2020-07-30 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole |
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 | | RXN | | Name: | (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide | | Formula: | C24 H22 Cl N5 O4 | | SMILES: | CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(N)=O)C3=O | | InChi: | InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1 | | Synonyms: | 6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide | | Definition date: | 2020-10-31 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 6-[(3~{S})-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide |
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 | | Q6E | | Name: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide | | Formula: | C22 H28 Cl N5 O2 | | SMILES: | CC(=O)N[CH]1CCC[CH](C1)C(=O)Nc2cc(c(Cl)cn2)c3cnn4CC(C)(C)Cc34 | | InChi: | InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1 | | Definition date: | 2020-05-22 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide |
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 | | U8M | | Name: | 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine | | Formula: | C11 H9 F2 N5 | | SMILES: | n1c(ccc(c1N)/N=Nc2cccc(F)c2F)N | | InChi: | InChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16) | | Definition date: | 2020-05-04 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine |
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 | | UZD | | Name: | methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside | | Formula: | C15 H29 N O7 | | SMILES: | O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC | | InChi: | InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1 | | Definition date: | 2020-06-08 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside |
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 | | M7H | | Name: | 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone | | Formula: | C21 H24 N4 O2 | | SMILES: | COc1ccc(cc1)c2cnc3n(C)c(cc3n2)C4CCN(CC4)C(C)=O | | InChi: | InChI=1S/C21H24N4O2/c1-14(26)25-10-8-16(9-11-25)20-12-18-21(24(20)2)22-13-19(23-18)15-4-6-17(27-3)7-5-15/h4-7,12-13,16H,8-11H2,1-3H3 | | Definition date: | 2019-10-03 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone |
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 | | VC7 | | Name: | 5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine | | Formula: | C11 H16 N5 O7 P | | SMILES: | C1(C(C(O)C(COP(C)(=O)O)O1)O)n3c2N=C(N)NC(c2nc3)=O | | InChi: | InChI=1S/C11H16N5O7P/c1-24(20,21)22-2-4-6(17)7(18)10(23-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2020-07-27 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine |
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 | | VYV | | Name: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide | | Formula: | C15 H18 N4 O5 S2 | | SMILES: | c1ccccc1NC(NCCS(Nc2ccc(cc2)S(=O)(=O)N)(=O)=O)=O | | InChi: | InChI=1S/C15H18N4O5S2/c16-26(23,24)14-8-6-13(7-9-14)19-25(21,22)11-10-17-15(20)18-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,16,23,24)(H2,17,18,20) | | Definition date: | 2020-09-22 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide |
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 | | VYY | | Name: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | | Formula: | C16 H20 N4 O5 S2 | | SMILES: | N(C(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)c2ccc(C)cc2 | | InChi: | InChI=1S/C16H20N4O5S2/c1-12-2-4-13(5-3-12)19-16(21)18-10-11-26(22,23)20-14-6-8-15(9-7-14)27(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21) | | Definition date: | 2020-09-22 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide |
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 | | VZ1 | | Name: | 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | | Formula: | C17 H22 N4 O5 S2 | | SMILES: | c2c(NC(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)cc(cc2C)C | | InChi: | InChI=1S/C17H22N4O5S2/c1-12-9-13(2)11-15(10-12)20-17(22)19-7-8-27(23,24)21-14-3-5-16(6-4-14)28(18,25)26/h3-6,9-11,21H,7-8H2,1-2H3,(H2,18,25,26)(H2,19,20,22) | | Definition date: | 2020-09-23 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide |
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 | | VZD | | Name: | 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | | Formula: | C15 H17 F N4 O5 S2 | | SMILES: | N(c1ccc(F)cc1)C(NCCS(Nc2ccc(cc2)S(N)(=O)=O)(=O)=O)=O | | InChi: | InChI=1S/C15H17FN4O5S2/c16-11-1-3-12(4-2-11)19-15(21)18-9-10-26(22,23)20-13-5-7-14(8-6-13)27(17,24)25/h1-8,20H,9-10H2,(H2,17,24,25)(H2,18,19,21) | | Definition date: | 2020-09-23 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide |
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 | | WT7 | | Name: | 5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine | | Formula: | C14 H22 N5 O7 P | | SMILES: | C1(C(C(C(O1)n3cnc2c(N)ncnc23)O)O)COP(OCCCC)(=O)O | | InChi: | InChI=1S/C14H22N5O7P/c1-2-3-4-24-27(22,23)25-5-8-10(20)11(21)14(26-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1 | | Definition date: | 2020-11-06 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine |
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