 | | QIE | | Name: | N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide | | Formula: | C19 H17 Br N4 O2 | | SMILES: | O=C(Nc1cccc(Br)n1)C1CCCN1C(=O)Cc1cccc(C#N)c1 | | InChi: | InChI=1S/C19H17BrN4O2/c20-16-7-2-8-17(22-16)23-19(26)15-6-3-9-24(15)18(25)11-13-4-1-5-14(10-13)12-21/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,22,23,26)/t15-/m0/s1 | | Definition date: | 2022-06-10 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide |
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 | | R7X | | Name: | 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide | | Formula: | C20 H20 Br N3 O3 | | SMILES: | O=C(Nc1cccc(Br)n1)C1CCCN1C(=O)Cc1cccc(c1)C(C)=O | | InChi: | InChI=1S/C20H20BrN3O3/c1-13(25)15-6-2-5-14(11-15)12-19(26)24-10-4-7-16(24)20(27)23-18-9-3-8-17(21)22-18/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3,(H,22,23,27)/t16-/m0/s1 | | Definition date: | 2022-06-22 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide |
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 | | 3UZ | | Name: | (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide | | Formula: | C23 H22 Cl N O4 | | SMILES: | Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2 | | InChi: | InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)/t22-/m0/s1 | | Synonyms: | Mandipropamid | | Definition date: | 2014-11-07 | | Last modified: | 2022-10-27 | | Release date: | 2015-02-11 | | Identifier: | (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide |
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 | | AD5 | | Name: | N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | | Formula: | C21 H27 N7 O | | SMILES: | n2c1ncnc1c(nc2Nc4ccc(N3CCOCC3)cc4)NC5CCCCC5 | | InChi: | InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) | | Synonyms: | Reversine | | Definition date: | 2007-11-15 | | Last modified: | 2022-10-26 | | Identifier: | N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine |
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 | | EV1 | | Name: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE | | Formula: | C20 H21 N O4 | | SMILES: | O(c1ccc(cc1OC)Cc3nccc2cc(OC)c(OC)cc23)C | | InChi: | InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3 | | Synonyms: | Papaverine | | Definition date: | 2009-04-02 | | Last modified: | 2022-10-26 | | Identifier: | 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline |
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 | | NG0 | | Name: | N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine | | Formula: | C25 H32 N2 O4 | | SMILES: | O=C(O)CNC(=O)C(Cc1ccccc1)CN1CCC(C)(C(C)C1)c1cccc(O)c1 | | InChi: | InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1 | | Synonyms: | Alvimopan | | Definition date: | 2022-04-04 | | Last modified: | 2022-10-25 | | Release date: | 2022-06-29 | | Identifier: | N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine |
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 | | 6N9 | | Name: | N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide | | Formula: | C24 H21 F2 N3 O4 S | | SMILES: | CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc21)c1ccc(OC)cc1 | | InChi: | InChI=1S/C24H21F2N3O4S/c1-3-10-34(31,32)29-20-9-8-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)14-4-6-16(33-2)7-5-14/h4-9,11-13,29H,3,10H2,1-2H3,(H,27,28) | | Definition date: | 2016-05-10 | | Last modified: | 2022-10-25 | | Release date: | 2016-09-14 | | Identifier: | N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide |
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 | | 6NC | | Name: | 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) | | Formula: | C52 H46 F4 N8 O9 S2 | | SMILES: | CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc12)c1ccc(cc1)CNC(=O)COCC(=O)NCc1ccc(cc1)c1cc2c(nc1)[NH]cc2C(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F | | InChi: | InChI=1S/C52H46F4N8O9S2/c1-3-17-74(69,70)63-41-15-13-39(53)45(47(41)55)49(67)37-25-61-51-35(37)19-33(23-59-51)31-9-5-29(6-10-31)21-57-43(65)27-73-28-44(66)58-22-30-7-11-32(12-8-30)34-20-36-38(26-62-52(36)60-24-34)50(68)46-40(54)14-16-42(48(46)56)64-75(71,72)18-4-2/h5-16,19-20,23-26,63-64H,3-4,17-18,21-22,27-28H2,1-2H3,(H,57,65)(H,58,66)(H,59,61)(H,60,62) | | Definition date: | 2016-05-10 | | Last modified: | 2022-10-25 | | Release date: | 2016-09-14 | | Identifier: | 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) |
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 | | QNG | | Name: | N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | | Formula: | C39 H32 Cl F10 N7 O5 S2 | | SMILES: | C(Cc1cc(F)cc(c1)F)(c2nc(ccc2c3ccc(c4c3n(CC(F)(F)F)nc4NS(C)(=O)=O)Cl)C#CC(S(C)(=O)=O)(C)C)NC(=O)Cn5c6c(c(n5)C(F)(F)F)C7C(C6(F)F)C7 | | InChi: | InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1 | | Synonyms: | Lenacapavir | | Definition date: | 2019-11-25 | | Last modified: | 2022-10-25 | | Release date: | 2020-07-01 | | Identifier: | N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide |
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 | | XMY | | Name: | (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one | | Formula: | C26 H28 Br F3 N4 O2 | | SMILES: | C2C(=O)N(c1cccc(c1)OC(F)(F)F)CC(CCCC)N2Cc3n(cnc3)Cc4ccc(Br)cc4 | | InChi: | InChI=1S/C26H28BrF3N4O2/c1-2-3-5-22-16-34(21-6-4-7-24(12-21)36-26(28,29)30)25(35)17-32(22)15-23-13-31-18-33(23)14-19-8-10-20(27)11-9-19/h4,6-13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1 | | Definition date: | 2020-12-21 | | Last modified: | 2022-10-21 | | Release date: | 2022-10-26 | | Identifier: | (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one |
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 | | ULO | | Name: | nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane | | Formula: | C15 H33 O P | | SMILES: | O=P(CCCCCCCCC)(C(C)C)C(C)C | | InChi: | InChI=1S/C15H33OP/c1-6-7-8-9-10-11-12-13-17(16,14(2)3)15(4)5/h14-15H,6-13H2,1-5H3 | | Definition date: | 2022-08-23 | | Last modified: | 2022-10-21 | | Release date: | 2022-10-26 | | Identifier: | nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane |
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 | | UC7 | | Name: | 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione | | Formula: | C20 H24 N2 O2 | | SMILES: | O=C1c2ccc(NCCCC)c3cccc(C(=O)N1CCCC)c32 | | InChi: | InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3 | | Definition date: | 2022-08-16 | | Last modified: | 2022-10-21 | | Release date: | 2022-10-26 | | Identifier: | 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
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 | | 1IB | | Name: | N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide | | Formula: | C18 H24 F2 N2 O | | SMILES: | CCNC(=O)[CH]1C[C](F)(C1)c2ccc(CN3CCCC3)c(F)c2 | | InChi: | InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18- | | Definition date: | 2021-06-24 | | Last modified: | 2022-10-21 | | Release date: | 2022-10-26 | | Identifier: | ~{N}-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide |
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 | | A8I | | Name: | 3-benzoylbenzoic acid | | Formula: | C14 H10 O3 | | SMILES: | OC(=O)c1cccc(c1)C(=O)c2ccccc2 | | InChi: | InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17) | | Synonyms: | 3-(phenylcarbonyl)benzoic acid | | Definition date: | 2021-11-25 | | Last modified: | 2022-10-21 | | Release date: | 2022-10-26 | | Identifier: | 3-(phenylcarbonyl)benzoic acid |
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 | | CGI | | Name: | ~{N}-[4-(4-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | | Formula: | C18 H13 Cl N4 O | | SMILES: | Clc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 | | InChi: | InChI=1S/C18H13ClN4O/c19-12-1-5-14(6-2-12)24-15-7-3-13(4-8-15)23-18-16-9-10-20-17(16)21-11-22-18/h1-11H,(H2,20,21,22,23) | | Definition date: | 2021-12-14 | | Last modified: | 2022-10-21 | | Release date: | 2022-10-26 | | Identifier: | ~{N}-[4-(4-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | CV6 | | Name: | Tezacaftor | | Formula: | C26 H27 F3 N2 O6 | | SMILES: | CC(C)(CO)c1cc2cc(NC(=O)C3(CC3)c3ccc4OC(F)(F)Oc4c3)c(F)cc2n1CC(O)CO | | InChi: | InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1 | | Definition date: | 2021-11-22 | | Last modified: | 2022-10-21 | | Release date: | 2022-01-12 | | Identifier: | 1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl}cyclopropane-1-carboxamide |
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 | | I6H | | Name: | Dexverapamil | | Formula: | C27 H38 N2 O4 | | SMILES: | COc1ccc(CCN(C)CCC[C](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC | | InChi: | InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1 | | Definition date: | 2022-02-15 | | Last modified: | 2022-10-21 | | Release date: | 2022-10-26 | | Identifier: | (2~{R})-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile |
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 | | NK3 | | Name: | OTS964 | | Formula: | C23 H24 N2 O2 S | | SMILES: | CN(C)CC(C)c1ccc(cc1)c1c2c(NC(=O)c3sccc32)c(C)cc1O | | InChi: | InChI=1S/C23H24N2O2S/c1-13-11-18(26)19(16-7-5-15(6-8-16)14(2)12-25(3)4)20-17-9-10-28-22(17)23(27)24-21(13)20/h5-11,14,26H,12H2,1-4H3,(H,24,27)/t14-/m0/s1 | | Definition date: | 2022-04-05 | | Last modified: | 2022-10-21 | | Release date: | 2022-10-26 | | Identifier: | (9aM)-9-{4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl}-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one |
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 | | 7T6 | | Name: | (2R)-2-[(1S)-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C9 H11 N O5 S | | SMILES: | CO[CH]([CH]1SCC(=C)C(=N1)C(O)=O)C(O)=O | | InChi: | InChI=1S/C9H11NO5S/c1-4-3-16-7(6(15-2)9(13)14)10-5(4)8(11)12/h6-7H,1,3H2,2H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1 | | Definition date: | 2021-10-22 | | Last modified: | 2022-10-21 | | Release date: | 2022-10-26 | | Identifier: | (2~{R})-2-[(1~{S})-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2~{H}-1,3-thiazine-4-carboxylic acid |
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 | | 7TC | | Name: | (2R,3S)-3-methyl-4-methylidene-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid | | Formula: | C11 H15 N O4 | | SMILES: | C[CH](O)[CH](C=O)[CH]1N=C(C(O)=O)C(=C)[CH]1C | | InChi: | InChI=1S/C11H15NO4/c1-5-6(2)10(11(15)16)12-9(5)8(4-13)7(3)14/h4-5,7-9,14H,2H2,1,3H3,(H,15,16)/t5-,7+,8+,9+/m0/s1 | | Definition date: | 2021-10-22 | | Last modified: | 2022-10-21 | | Release date: | 2022-10-26 | | Identifier: | (2~{R},3~{S})-3-methyl-4-methylidene-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid |
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 | | 3M7 | | Name: | tert-butyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-[(cyclopropanesulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C36 H46 Cl N5 O9 S | | SMILES: | O=S(=O)(NC(=O)C12NC(=O)C3CC(Oc4ncc(OC)c5ccc(Cl)cc54)CN3C(=O)C(NC(=O)OC(C)(C)C)CCCCCC=CC2C1)C1CC1 | | InChi: | InChI=1S/C36H46ClN5O9S/c1-35(2,3)51-34(46)39-27-11-9-7-5-6-8-10-21-18-36(21,33(45)41-52(47,48)24-13-14-24)40-30(43)28-17-23(20-42(28)32(27)44)50-31-26-16-22(37)12-15-25(26)29(49-4)19-38-31/h8,10,12,15-16,19,21,23-24,27-28H,5-7,9,11,13-14,17-18,20H2,1-4H3,(H,39,46)(H,40,43)(H,41,45)/b10-8-/t21-,23-,27+,28+,36-/m1/s1 | | Definition date: | 2014-09-22 | | Last modified: | 2022-10-18 | | Release date: | 2014-10-15 | | Identifier: | tert-butyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-[(cyclopropanesulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | R0N | | Name: | Roniciclib | | Formula: | C18 H21 F3 N4 O3 S | | SMILES: | c3(c(nc(Nc2ccc(S(C1CC1)(N)O)cc2)nc3)OC(C(O)C)C)C(F)(F)F | | InChi: | InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29+/m1/s1 | | Synonyms: | BAY 1000394 | | Definition date: | 2016-02-25 | | Last modified: | 2022-10-18 | | Release date: | 2016-04-27 | | Identifier: | (2R,3R)-3-{[2-({4-[(R)-amino(cyclopropyl)hydroxy-lambda~4~-sulfanyl]phenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy}butan-2-ol |
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 | | JC9 | | Name: | (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one | | Formula: | C13 H16 Cl N O | | SMILES: | CN[C]1(CCCCC1=O)c2ccccc2Cl | | InChi: | InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1 | | Synonyms: | Esketamine | | Definition date: | 2021-05-18 | | Last modified: | 2022-10-17 | | Release date: | 2021-07-28 | | Identifier: | (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one |
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 | | WP3 | | Name: | N~5~-[(2P,4S)-2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide | | Formula: | C20 H18 F N7 O2 | | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1cccc(F)c1)N(C)C | | InChi: | InChI=1S/C20H18FN7O2/c1-26(2)19(30)14-10-22-27(3)17(14)18(29)24-16-7-8-28-11-15(23-20(28)25-16)12-5-4-6-13(21)9-12/h4-11H,1-3H3,(H,23,24,25,29) | | Definition date: | 2022-10-10 | | Last modified: | 2022-10-14 | | Release date: | 2022-10-19 | | Identifier: | N~5~-[(2P,4S)-2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide |
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 | | WPO | | Name: | 5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine | | Formula: | C13 H18 N5 O7 P | | SMILES: | O=P(O)(OCC=C)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C13H18N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h2,5-7,9-10,13,19-20H,1,3-4H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 | | Definition date: | 2022-10-10 | | Last modified: | 2022-10-14 | | Release date: | 2022-10-19 | | Identifier: | 5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine |
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