 | | A1L33 | | Name: | 2-(3-azanyl-6-azanylidene-4,5-disulfo-xanthen-9-yl)-5-[[1-[4-(2-hydroxy-2-oxoethyl)-2,3-bis(oxidanylidene)-7-(trifluoromethyl)-1~{H}-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoyl]benzoic acid | | Formula: | C37 H25 F3 N6 O14 S2 | | SMILES: | Nc1ccc2c(OC3=C(C(=N)C=CC3=C2c4ccc(cc4C(O)=O)C(=O)NCc5ccn(c5)c6cc7N(CC(O)=O)C(=O)C(=O)Nc7cc6C(F)(F)F)[S](O)(=O)=O)c1[S](O)(=O)=O | | InChi: | InChI=1S/C37H25F3N6O14S2/c38-37(39,40)21-10-24-26(46(14-27(47)48)35(51)34(50)44-24)11-25(21)45-8-7-15(13-45)12-43-33(49)16-1-2-17(20(9-16)36(52)53)28-18-3-5-22(41)31(61(54,55)56)29(18)60-30-19(28)4-6-23(42)32(30)62(57,58)59/h1-11,13,41H,12,14,42H2,(H,43,49)(H,44,50)(H,47,48)(H,52,53)(H,54,55,56)(H,57,58,59)/b41-22- | | Definition date: | 2024-08-30 | | Last modified: | 2025-06-27 | | Release date: | 2025-07-02 | | Identifier: | 2-(3-azanyl-6-azanylidene-4,5-disulfo-xanthen-9-yl)-5-[[1-[4-(2-hydroxy-2-oxoethyl)-2,3-bis(oxidanylidene)-7-(trifluoromethyl)-1~{H}-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoyl]benzoic acid |
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 | | A1L5I | | Name: | [(2~{S})-2-[(~{E})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] octadec-9-enoate | | Formula: | C39 H72 O5 | | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC=CCCCCCCCC | | InChi: | InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17?,20-18+/t37-/m0/s1 | | Definition date: | 2024-11-05 | | Last modified: | 2025-06-27 | | Release date: | 2025-07-02 | | Identifier: | [(2~{S})-2-[(~{E})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] octadec-9-enoate |
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 | | A1L7D | | Name: | 5-(1-methyl-5-oxidanyl-pyrazol-4-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione | | Formula: | C20 H15 N3 O4 | | SMILES: | Cn1ncc(c1O)C(=O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2 | | InChi: | InChI=1S/C20H15N3O4/c1-22-18(25)16(10-21-22)17(24)13-7-8-14-15(9-13)20(27)23(19(14)26)11-12-5-3-2-4-6-12/h2-10,25H,11H2,1H3 | | Definition date: | 2025-01-22 | | Last modified: | 2025-06-27 | | Release date: | 2025-07-02 | | Identifier: | 5-(1-methyl-5-oxidanyl-pyrazol-4-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione |
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 | | A1L8Q | | Name: | Menaquinone 10 | | Formula: | C61 H88 O2 | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O | | InChi: | InChI=1S/C61H88O2/c1-46(2)24-15-25-47(3)26-16-27-48(4)28-17-29-49(5)30-18-31-50(6)32-19-33-51(7)34-20-35-52(8)36-21-37-53(9)38-22-39-54(10)40-23-41-55(11)44-45-57-56(12)60(62)58-42-13-14-43-59(58)61(57)63/h13-14,24,26,28,30,32,34,36,38,40,42-44H,15-23,25,27,29,31,33,35,37,39,41,45H2,1-12H3/b47-26-,48-28+,49-30+,50-32-,51-34+,52-36+,53-38+,54-40+,55-44+ | | Synonyms: | menaquinone-10 | | Definition date: | 2025-03-14 | | Last modified: | 2025-06-27 | | Release date: | 2025-07-02 | | Identifier: | 2-[(2~{E},6~{E},10~{E},14~{E},18~{E},22~{Z},26~{E},30~{E},34~{Z})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methyl-naphthalene-1,4-dione |
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 | | 6FM | | Name: | 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate) | | Formula: | C12 H13 F N5 O6 P | | SMILES: | c21n(cnc1c(nc(n2)F)N)C3CC(C(C#C)(O3)COP(O)(=O)O)O | | InChi: | InChI=1S/C12H13FN5O6P/c1-2-12(4-23-25(20,21)22)6(19)3-7(24-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19H,3-4H2,(H2,14,16,17)(H2,20,21,22)/t6-,7+,12+/m0/s1 | | Definition date: | 2016-03-30 | | Last modified: | 2025-06-26 | | Release date: | 2016-08-03 | | Identifier: | 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate) |
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 | | ACO | | Name: | ACETYL COENZYME *A | | Formula: | C23 H38 N7 O17 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C | | InChi: | InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2025-06-26 | | Identifier: | S-{(9R,13S,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} ethanethioate (non-preferred name) |
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 | | PKZ | | Name: | Palmitoyl-CoA | | Formula: | C37 H66 N7 O17 P3 S | | SMILES: | C(CC(SCCNC(CCNC(C(C(C)(COP(OP(OCC3C(C(C(n2c1ncnc(c1nc2)N)O3)O)OP(O)(O)=O)(=O)O)(O)=O)C)O)=O)=O)=O)CCCCCCCCCCCCC | | InChi: | InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1 | | Definition date: | 2015-09-29 | | Last modified: | 2025-06-24 | | Release date: | 2016-08-31 | | Identifier: | S-{(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} hexadecanethioate (non-preferred name) |
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 | | A1BV8 | | Name: | (3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one | | Formula: | C26 H27 Cl N4 O2 | | SMILES: | Cc1cccc(n1)c1ccc(C2=Cc3cnccc3N(CCOCCN(C)C)C2=O)c(Cl)c1 | | InChi: | InChI=1S/C26H27ClN4O2/c1-18-5-4-6-24(29-18)19-7-8-21(23(27)16-19)22-15-20-17-28-10-9-25(20)31(26(22)32)12-14-33-13-11-30(2)3/h4-10,15-17H,11-14H2,1-3H3 | | Definition date: | 2025-02-05 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | (3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one |
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 | | A1BW5 | | Name: | (6M)-8-(3-aminopropyl)-6-(4-butoxy-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one | | Formula: | C22 H29 N5 O2 | | SMILES: | CCCCOc1ccc(C2=Cc3cnc(nc3N(CCCN)C2=O)NC)c(C)c1 | | InChi: | InChI=1S/C22H29N5O2/c1-4-5-11-29-17-7-8-18(15(2)12-17)19-13-16-14-25-22(24-3)26-20(16)27(21(19)28)10-6-9-23/h7-8,12-14H,4-6,9-11,23H2,1-3H3,(H,24,25,26) | | Definition date: | 2025-02-17 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | (6M)-8-(3-aminopropyl)-6-(4-butoxy-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one |
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 | | A1BWC | | Name: | N-(3,5-difluoro-4-{[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy}phenyl)-N'-[3-(morpholin-4-yl)propyl]urea | | Formula: | C22 H22 F5 N5 O3 | | SMILES: | FC(F)(F)c1c[NH]c2nccc(Oc3c(F)cc(cc3F)NC(=O)NCCCN3CCOCC3)c21 | | InChi: | InChI=1S/C22H22F5N5O3/c23-15-10-13(31-21(33)29-3-1-5-32-6-8-34-9-7-32)11-16(24)19(15)35-17-2-4-28-20-18(17)14(12-30-20)22(25,26)27/h2,4,10-12H,1,3,5-9H2,(H,28,30)(H2,29,31,33) | | Definition date: | 2025-02-07 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | N-(3,5-difluoro-4-{[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy}phenyl)-N'-[3-(morpholin-4-yl)propyl]urea |
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 | | A1CF1 | | Name: | (2R)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid | | Formula: | C28 H21 Cl N2 O5 | | SMILES: | Clc1ccc(cc1COc1ccccc1C(Nc1cc2NC(=O)Oc2cc1)C(=O)O)c1ccccc1 | | InChi: | InChI=1S/C28H21ClN2O5/c29-22-12-10-18(17-6-2-1-3-7-17)14-19(22)16-35-24-9-5-4-8-21(24)26(27(32)33)30-20-11-13-25-23(15-20)31-28(34)36-25/h1-15,26,30H,16H2,(H,31,34)(H,32,33)/t26-/m1/s1 | | Definition date: | 2025-06-10 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | (2R)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid |
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 | | A1EBE | | Name: | ethyl 2-[1-[4-[2-(diethylaminomethylamino)ethanoyl]quinolin-2-yl]azetidin-3-yl]imidazo[1,2-a]pyridine-3-carboxylate | | Formula: | C29 H34 N6 O3 | | SMILES: | CCOC(=O)c1n2ccccc2nc1C3CN(C3)c4cc(C(=O)CNCN(CC)CC)c5ccccc5n4 | | InChi: | InChI=1S/C29H34N6O3/c1-4-33(5-2)19-30-16-24(36)22-15-26(31-23-12-8-7-11-21(22)23)34-17-20(18-34)27-28(29(37)38-6-3)35-14-10-9-13-25(35)32-27/h7-15,20,30H,4-6,16-19H2,1-3H3 | | Definition date: | 2024-09-03 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | ethyl 2-[1-[4-[2-(diethylaminomethylamino)ethanoyl]quinolin-2-yl]azetidin-3-yl]imidazo[1,2-a]pyridine-3-carboxylate |
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 | | A1EGV | | Name: | Astragalin | | Formula: | C21 H20 O11 | | SMILES: | OC[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 | | Synonyms: | Kaempferol 3-O-glucoside | | Definition date: | 2024-12-03 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | 3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one |
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 | | A1EGX | | Name: | Guaijaverin | | Formula: | C20 H18 O11 | | SMILES: | O[CH]1CO[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH]1O | | InChi: | InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1 | | Definition date: | 2024-12-03 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | 2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3-[(2~{S},3~{R},4~{S},5~{S})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-chromen-4-one |
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 | | A1EGY | | Name: | Genistin | | Formula: | C21 H20 O10 | | SMILES: | OC[CH]1O[CH](Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1 | | Synonyms: | Genistein 7-O-glucoside | | Definition date: | 2024-12-03 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | 7-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one |
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 | | A1EJ6 | | Name: | 3-[[4-chloranyl-2-[(2-hydroxyethylamino)methyl]-5-[[2-methyl-3-[3-[2-[2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethoxy]ethoxy]phenyl]phenyl]methoxy]phenoxy]methyl]benzenecarbonitrile | | Formula: | C39 H44 Cl N3 O6 | | SMILES: | Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCO)cc2Cl)cccc1c4cccc(OCCOCCN5CC[CH](O)C5)c4 | | InChi: | InChI=1S/C39H44ClN3O6/c1-28-32(8-4-10-36(28)31-7-3-9-35(20-31)47-18-17-46-16-14-43-13-11-34(45)25-43)27-49-39-22-38(33(21-37(39)40)24-42-12-15-44)48-26-30-6-2-5-29(19-30)23-41/h2-10,19-22,34,42,44-45H,11-18,24-27H2,1H3/t34-/m1/s1 | | Definition date: | 2025-01-18 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | 3-[[4-chloranyl-2-[(2-hydroxyethylamino)methyl]-5-[[2-methyl-3-[3-[2-[2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethoxy]ethoxy]phenyl]phenyl]methoxy]phenoxy]methyl]benzenecarbonitrile |
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 | | A1ISP | | Name: | 2-[(3S)-2,6-bis(oxidanylidene)piperidin-3-yl]-5-[(1S,2R,5S)-2-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]isoindole-1,3-dione | | Formula: | C22 H26 N4 O4 | | SMILES: | CCN[CH]1CC[CH]2CC[CH]1N2c3ccc4C(=O)N([CH]5CCC(=O)NC5=O)C(=O)c4c3 | | InChi: | InChI=1S/C22H26N4O4/c1-2-23-16-7-4-12-5-8-17(16)25(12)13-3-6-14-15(11-13)22(30)26(21(14)29)18-9-10-19(27)24-20(18)28/h3,6,11-12,16-18,23H,2,4-5,7-10H2,1H3,(H,24,27,28)/t12-,16+,17-,18-/m0/s1 | | Definition date: | 2024-10-25 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | 2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-[(1~{S},2~{R},5~{S})-2-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]isoindole-1,3-dione |
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 | | A1AIR | | Name: | 1-[(4R,8R)-2-[(4M,7P)-7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methyl-1H-indazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]propan-1-one | | Formula: | C34 H32 F2 N6 O3 S | | SMILES: | CCC(=O)N1CCn2nc(cc2C1C)c1nc(c2ccsc2c1c1c(F)cc(F)cc1OCCOC)c1ccc2n(C)ncc2c1 | | InChi: | InChI=1S/C34H32F2N6O3S/c1-5-29(43)41-9-10-42-27(19(41)2)17-25(39-42)33-31(30-24(36)15-22(35)16-28(30)45-12-11-44-4)34-23(8-13-46-34)32(38-33)20-6-7-26-21(14-20)18-37-40(26)3/h6-8,13-19H,5,9-12H2,1-4H3/t19-/m1/s1 | | Definition date: | 2024-03-22 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | 1-[(4R,8R)-2-[(4M,7P)-7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methyl-1H-indazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]propan-1-one |
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 | | A1EQJ | | Name: | 2-cyano-N-[(3R)-1-[(3S)-3-ethyl-7-(ethylamino)-5-fluoranyl-2-oxidanylidene-1H-indol-3-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide | | Formula: | C25 H33 F N6 O2 | | SMILES: | CCNc1cc(F)cc2c1NC(=O)[C]2(CC)N3CCC[CH](C3)NC(=O)C4CC5(C4)CN(C5)C#N | | InChi: | InChI=1S/C25H33FN6O2/c1-3-25(19-8-17(26)9-20(28-4-2)21(19)30-23(25)34)32-7-5-6-18(12-32)29-22(33)16-10-24(11-16)13-31(14-24)15-27/h8-9,16,18,28H,3-7,10-14H2,1-2H3,(H,29,33)(H,30,34)/t18-,25+/m1/s1 | | Definition date: | 2025-05-15 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | 2-cyano-~{N}-[(3~{R})-1-[(3~{S})-3-ethyl-7-(ethylamino)-5-fluoranyl-2-oxidanylidene-1~{H}-indol-3-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide |
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 | | A1IEO | | Name: | methyl 4-chloranyl-3-sulfamoyl-benzoate | | Formula: | C8 H8 Cl N O4 S | | SMILES: | COC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O | | InChi: | InChI=1S/C8H8ClNO4S/c1-14-8(11)5-2-3-6(9)7(4-5)15(10,12)13/h2-4H,1H3,(H2,10,12,13) | | Definition date: | 2024-06-13 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | methyl 4-chloranyl-3-sulfamoyl-benzoate |
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 | | A1IEU | | Name: | [(2~{R})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid | | Formula: | C20 H24 Cl2 N3 O5 P | | SMILES: | CC(C)C[CH](C(=O)N[CH](Cc1ccccn1)C(=O)Nc2ccc(Cl)c(Cl)c2)[P](O)(O)=O | | InChi: | InChI=1S/C20H24Cl2N3O5P/c1-12(2)9-18(31(28,29)30)20(27)25-17(11-13-5-3-4-8-23-13)19(26)24-14-6-7-15(21)16(22)10-14/h3-8,10,12,17-18H,9,11H2,1-2H3,(H,24,26)(H,25,27)(H2,28,29,30)/t17-,18+/m0/s1 | | Definition date: | 2024-06-17 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | [(2~{R})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
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 | | A1L59 | | Name: | iptriazopyrid | | Formula: | C15 H15 F3 N6 O4 S | | SMILES: | CC(C)[S](=O)(=O)Cc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F | | InChi: | InChI=1S/C15H15F3N6O4S/c1-7(2)29(26,27)6-11-21-22-12-9(4-5-10(24(11)12)15(16,17)18)13(25)19-14-23-20-8(3)28-14/h4-5,7H,6H2,1-3H3,(H,19,23,25) | | Synonyms: | ~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide | | Definition date: | 2024-11-22 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | ~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
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 | | A1ASE | | Name: | 8-(3,4-dihydroquinoline-1(2H)-carbonyl)-7-(2-hydroxyethoxy)-4-propyl-2H-1-benzopyran-2-one | | Formula: | C24 H25 N O5 | | SMILES: | OCCOc1ccc2c(OC(=O)C=C2CCC)c1C(=O)N1CCCc2ccccc21 | | InChi: | InChI=1S/C24H25NO5/c1-2-6-17-15-21(27)30-23-18(17)10-11-20(29-14-13-26)22(23)24(28)25-12-5-8-16-7-3-4-9-19(16)25/h3-4,7,9-11,15,26H,2,5-6,8,12-14H2,1H3 | | Synonyms: | obex 5c | | Definition date: | 2024-05-16 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | 8-(3,4-dihydroquinoline-1(2H)-carbonyl)-7-(2-hydroxyethoxy)-4-propyl-2H-1-benzopyran-2-one |
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 | | A1AVV | | Name: | N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide | | Formula: | C16 H14 N2 O | | SMILES: | O=C(C)Nc1ccc(cc1)C#Cc1cccc(N)c1 | | InChi: | InChI=1S/C16H14N2O/c1-12(19)18-16-9-7-13(8-10-16)5-6-14-3-2-4-15(17)11-14/h2-4,7-11H,17H2,1H3,(H,18,19) | | Definition date: | 2024-06-24 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide |
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 | | A1AZB | | Name: | N-[(3M)-3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluorobenzamide | | Formula: | C18 H16 F N5 O S | | SMILES: | Cc1nc(NC(N)=N)sc1c1cccc(NC(=O)c2ccc(F)cc2)c1 | | InChi: | InChI=1S/C18H16FN5OS/c1-10-15(26-18(22-10)24-17(20)21)12-3-2-4-14(9-12)23-16(25)11-5-7-13(19)8-6-11/h2-9H,1H3,(H,23,25)(H4,20,21,22,24) | | Definition date: | 2024-07-15 | | Last modified: | 2025-06-20 | | Release date: | 2025-06-25 | | Identifier: | N-[(3M)-3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluorobenzamide |
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