 | | A7Z | | Name: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate | | Formula: | C19 H15 F N2 O4 S | | SMILES: | S(=O)(F)(=O)Oc1ccc(cc1)c2n(CC#C)cnc2c3cc(ccc3)OC | | InChi: | InChI=1S/C19H15FN2O4S/c1-3-11-22-13-21-18(15-5-4-6-17(12-15)25-2)19(22)14-7-9-16(10-8-14)26-27(20,23)24/h1,4-10,12-13H,11H2,2H3 | | Definition date: | 2017-01-25 | | Last modified: | 2024-09-27 | | Release date: | 2018-01-17 | | Identifier: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate |
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 | | O5I | | Name: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide | | Formula: | C20 H27 Cl2 N3 O2 | | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Nc3ccc(Cl)cc3 | | InChi: | InChI=1S/C20H27Cl2N3O2/c21-13-18(26)23-14-15-7-11-25(12-8-15)19(27)20(9-1-2-10-20)24-17-5-3-16(22)4-6-17/h3-6,15,24H,1-2,7-14H2,(H,23,26) | | Definition date: | 2022-08-30 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-20 | | Identifier: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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 | | A | | Name: | ADENOSINE-5'-MONOPHOSPHATE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 5'-adenylic acid |
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 | | O5S | | Name: | 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide | | Formula: | C31 H35 Cl N4 O4 | | SMILES: | CCC(N6CC(NC(=O)Cn1c5c(c(c1C2CC2)C(N4CCc3c(OC)cccc3C4)=O)cc(Cl)cc5C)C6)=O | | InChi: | InChI=1S/C31H35ClN4O4/c1-4-27(38)35-15-22(16-35)33-26(37)17-36-29-18(2)12-21(32)13-24(29)28(30(36)19-8-9-19)31(39)34-11-10-23-20(14-34)6-5-7-25(23)40-3/h5-7,12-13,19,22H,4,8-11,14-17H2,1-3H3,(H,33,37) | | Definition date: | 2019-06-12 | | Last modified: | 2024-09-27 | | Release date: | 2019-08-28 | | Identifier: | 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide |
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 | | O5V | | Name: | 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide | | Formula: | C25 H26 Br N3 O4 | | SMILES: | CCC(=O)N1CC(C1)NC(=O)COc2ccc(Br)cc2C(N4CC=C(c3ccccc3)C4)=O | | InChi: | InChI=1S/C25H26BrN3O4/c1-2-24(31)29-14-20(15-29)27-23(30)16-33-22-9-8-19(26)12-21(22)25(32)28-11-10-18(13-28)17-6-4-3-5-7-17/h3-10,12,20H,2,11,13-16H2,1H3,(H,27,30) | | Definition date: | 2019-06-12 | | Last modified: | 2024-09-27 | | Release date: | 2019-08-28 | | Identifier: | 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide |
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 | | A8E | | Name: | (2S)-2-amino-4-bromopent-4-enoic acid | | Formula: | C5 H8 Br N O2 | | SMILES: | BrC(=C)CC(N)C(=O)O | | InChi: | InChI=1S/C5H8BrNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1 | | Definition date: | 2011-06-24 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-4-bromopent-4-enoic acid |
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 | | O5Y | | Name: | 2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide | | Formula: | C27 H29 Br N4 O4 | | SMILES: | CCC(N5CC(NC(=O)Cn3cc(C(=O)N1Cc2c(CC1)c(ccc2)OC)c4cc(Br)ccc34)C5)=O | | InChi: | InChI=1S/C27H29BrN4O4/c1-3-26(34)32-13-19(14-32)29-25(33)16-31-15-22(21-11-18(28)7-8-23(21)31)27(35)30-10-9-20-17(12-30)5-4-6-24(20)36-2/h4-8,11,15,19H,3,9-10,12-14,16H2,1-2H3,(H,29,33) | | Definition date: | 2019-06-12 | | Last modified: | 2024-09-27 | | Release date: | 2019-08-28 | | Identifier: | 2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide |
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 | | A8J | | Name: | tert-butyl 3-ethanoylbenzoate | | Formula: | C13 H16 O3 | | SMILES: | CC(=O)c1cccc(c1)C(=O)OC(C)(C)C | | InChi: | InChI=1S/C13H16O3/c1-9(14)10-6-5-7-11(8-10)12(15)16-13(2,3)4/h5-8H,1-4H3 | | Synonyms: | 317829-73-5 | | Definition date: | 2023-05-16 | | Last modified: | 2024-09-27 | | Release date: | 2024-05-15 | | Identifier: | ~{tert}-butyl 3-ethanoylbenzoate |
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 | | O64 | | Name: | 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide | | Formula: | C12 H11 Cl F3 N O2 | | SMILES: | FC(F)(F)c1cccc(C(=O)NC(C=O)CC)c1Cl | | InChi: | InChI=1S/C12H11ClF3NO2/c1-2-7(6-18)17-11(19)8-4-3-5-9(10(8)13)12(14,15)16/h3-7H,2H2,1H3,(H,17,19)/t7-/m0/s1 | | Definition date: | 2010-09-20 | | Last modified: | 2024-09-27 | | Identifier: | 2-chloro-N-[(2S)-1-oxobutan-2-yl]-3-(trifluoromethyl)benzamide |
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 | | O65 | | Name: | 3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde | | Formula: | C10 H12 O4 | | SMILES: | Cc1c(CO)cc(cc1CO)C(O)=O | | InChi: | InChI=1S/C10H12O4/c1-6-8(4-11)2-7(10(13)14)3-9(6)5-12/h2-3,11-12H,4-5H2,1H3,(H,13,14) | | Definition date: | 2020-02-10 | | Last modified: | 2024-09-27 | | Release date: | 2021-02-17 | | Identifier: | 3,5-bis(hydroxymethyl)-4-methyl-benzoic acid |
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 | | O67 | | Name: | N-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide | | Formula: | C19 H21 Br N4 O5 | | SMILES: | CCC(=O)N1CC(C1)NC(COc2ccc(Br)cc2NC(=O)c3cc(C)no3)=O | | InChi: | InChI=1S/C19H21BrN4O5/c1-3-18(26)24-8-13(9-24)21-17(25)10-28-15-5-4-12(20)7-14(15)22-19(27)16-6-11(2)23-29-16/h4-7,13H,3,8-10H2,1-2H3,(H,21,25)(H,22,27) | | Definition date: | 2019-06-12 | | Last modified: | 2024-09-27 | | Release date: | 2019-08-28 | | Identifier: | N-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide |
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 | | O6C | | Name: | 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide | | Formula: | C22 H34 Cl N3 O3 S2 | | SMILES: | CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)C(C)(C)Oc2ccc(Cl)cc2 | | InChi: | InChI=1S/C22H34ClN3O3S2/c1-22(2,29-19-7-5-18(23)6-8-19)21(28)26-12-9-17(10-13-26)20(27)24-11-15-30-31-16-14-25(3)4/h5-8,17H,9-16H2,1-4H3,(H,24,27) | | Definition date: | 2022-08-30 | | Last modified: | 2024-09-27 | | Release date: | 2023-04-26 | | Identifier: | 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide |
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 | | O6E | | Name: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | | Formula: | C33 H38 N4 O6 | | SMILES: | CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,13-15,19-20,35H,2,7,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1 | | Definition date: | 2020-02-13 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-06 | | Identifier: | 3-[2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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 | | O6H | | Name: | 2,4,6-trimethyl-L-phenylalanine | | Formula: | C12 H17 N O2 | | SMILES: | Cc1cc(C)c(C[CH](N)C(O)=O)c(C)c1 | | InChi: | InChI=1S/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)/t11-/m0/s1 | | Synonyms: | (2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanal | | Definition date: | 2020-02-13 | | Last modified: | 2024-09-27 | | Release date: | 2021-01-27 | | Identifier: | (2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanoic acid |
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 | | O6K | | Name: | ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Formula: | C31 H41 N5 O7 | | SMILES: | CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O | | InChi: | InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-,25+/m0/s1 | | Synonyms: | (S,S,S)-13b | | Definition date: | 2020-02-17 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-04 | | Identifier: | ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate |
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 | | O6L | | Name: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide | | Formula: | C20 H26 Cl2 N2 O3 | | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccc(Cl)cc3 | | InChi: | InChI=1S/C20H26Cl2N2O3/c21-13-18(25)23-14-15-7-11-24(12-8-15)19(26)20(9-1-2-10-20)27-17-5-3-16(22)4-6-17/h3-6,15H,1-2,7-14H2,(H,23,25) | | Definition date: | 2022-08-30 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-20 | | Identifier: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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 | | A93 | | Name: | 4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate | | Formula: | C23 H19 F O3 | | SMILES: | Fc3ccc(OC(=O)c1cccc(c1)C=Cc2cc(c(O)c(c2)C)C)cc3 | | InChi: | InChI=1S/C23H19FO3/c1-15-12-18(13-16(2)22(15)25)7-6-17-4-3-5-19(14-17)23(26)27-21-10-8-20(24)9-11-21/h3-14,25H,1-2H3/b7-6+ | | Synonyms: | (E)-4-fluorophenyl 3-(4-hydroxy-3,5-dimethylstyryl)benzoate | | Definition date: | 2009-06-26 | | Last modified: | 2024-09-27 | | Identifier: | 4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate |
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 | | A9C | | Name: | N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide | | Formula: | C34 H45 N5 O3 | | SMILES: | C1CN(C)CCN1Cc2ccc(cc2)C(=O)NCc3cc(ccc3)COC4CCCC4NC(=O)C(=CC(C)(C)C)C#N | | InChi: | InChI=1S/C34H45N5O3/c1-34(2,3)20-29(21-35)33(41)37-30-9-6-10-31(30)42-24-27-8-5-7-26(19-27)22-36-32(40)28-13-11-25(12-14-28)23-39-17-15-38(4)16-18-39/h5,7-8,11-14,19-20,30-31H,6,9-10,15-18,22-24H2,1-4H3,(H,36,40)(H,37,41)/t30-,31+/m1/s1 | | Definition date: | 2018-10-24 | | Last modified: | 2024-09-27 | | Release date: | 2019-10-16 | | Identifier: | N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
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 | | A9F | | Name: | N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide | | Formula: | C34 H45 N5 O3 | | SMILES: | C1CN(C)CCN1Cc2ccc(cc2)C(=O)NCc3cc(ccc3)COC4C(CCC4)NC(=O)C(=CC(C)(C)C)C#N | | InChi: | InChI=1S/C34H45N5O3/c1-34(2,3)20-29(21-35)33(41)37-30-9-6-10-31(30)42-24-27-8-5-7-26(19-27)22-36-32(40)28-13-11-25(12-14-28)23-39-17-15-38(4)16-18-39/h5,7-8,11-14,19-20,30-31H,6,9-10,15-18,22-24H2,1-4H3,(H,36,40)(H,37,41)/t30-,31+/m0/s1 | | Definition date: | 2018-10-24 | | Last modified: | 2024-09-27 | | Release date: | 2019-10-16 | | Identifier: | N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
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 | | O75 | | Name: | N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide | | Formula: | C27 H28 F3 N5 O | | SMILES: | N#Cc3nc(c2cc(C(=O)N(Cc1ccccc1)CCN(C)C)cc(c2)C(F)(F)F)cc(n3)CCC | | InChi: | InChI=1S/C27H28F3N5O/c1-4-8-23-16-24(33-25(17-31)32-23)20-13-21(15-22(14-20)27(28,29)30)26(36)35(12-11-34(2)3)18-19-9-6-5-7-10-19/h5-7,9-10,13-16H,4,8,11-12,18H2,1-3H3 | | Definition date: | 2010-07-22 | | Last modified: | 2024-09-27 | | Identifier: | N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide |
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 | | O7D | | Name: | 4-methoxy-N-methyl-L-tryptophan | | Formula: | C13 H16 N2 O3 | | SMILES: | CNC(Cc1cnc2cccc(c12)OC)C(=O)O | | InChi: | InChI=1S/C13H16N2O3/c1-14-10(13(16)17)6-8-7-15-9-4-3-5-11(18-2)12(8)9/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17)/t10-/m0/s1 | | Definition date: | 2019-06-17 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-13 | | Identifier: | 4-methoxy-N-methyl-L-tryptophan |
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 | | O7G | | Name: | N,N-dimethyl-L-valine | | Formula: | C7 H15 N O2 | | SMILES: | N(C)(C)C(C(=O)O)C(C)C | | InChi: | InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1 | | Definition date: | 2019-06-17 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-13 | | Identifier: | N,N-dimethyl-L-valine |
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 | | A9Z | | Name: | 2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate) | | Formula: | C14 H19 N8 O6 P | | SMILES: | O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(n3nnc(c3)CC)C4O | | InChi: | InChI=1S/C14H19N8O6P/c1-2-7-3-22(20-19-7)10-11(23)8(4-27-29(24,25)26)28-14(10)21-6-18-9-12(15)16-5-17-13(9)21/h3,5-6,8,10-11,14,23H,2,4H2,1H3,(H2,15,16,17)(H2,24,25,26)/t8-,10-,11-,14-/m1/s1 | | Definition date: | 2013-01-16 | | Last modified: | 2024-09-27 | | Release date: | 2013-07-03 | | Identifier: | 2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate) |
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 | | O7K | | Name: | pyrazinoquinolinone | | Formula: | C25 H23 Cl F2 N4 O3 | | SMILES: | CCC(=O)N1C[CH]2N(C[CH]1C)c3c(cnc4c(F)c(c(Cl)cc34)c5c(O)cccc5F)N(C)C2=O | | InChi: | InChI=1S/C25H23ClF2N4O3/c1-4-19(34)31-11-17-25(35)30(3)16-9-29-23-13(24(16)32(17)10-12(31)2)8-14(26)20(22(23)28)21-15(27)6-5-7-18(21)33/h5-9,12,17,33H,4,10-11H2,1-3H3/t12-,17-/m1/s1 | | Synonyms: | (2R,4aR)-3-acryloyl-11-chloro-9-fluoro-10-(2-fluoro-6-hydroxyphenyl)-2,6-dimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1',2':4,5]pyrazino[2,3-c]quinolin-5(6H)-one. | | Definition date: | 2020-02-18 | | Last modified: | 2024-09-27 | | Release date: | 2020-02-26 |
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 | | AA1 | | Name: | [1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID | | Formula: | C8 H14 N2 O5 | | SMILES: | O=C(N(N)CC(=O)O)CCC(=O)OCC | | InChi: | InChI=1S/C8H14N2O5/c1-2-15-8(14)4-3-6(11)10(9)5-7(12)13/h2-5,9H2,1H3,(H,12,13) | | Definition date: | 2005-09-14 | | Last modified: | 2024-09-27 | | Identifier: | [1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid |
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