 | | 824 | | Name: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE | | Formula: | C20 H12 N2 O3 | | SMILES: | O=C5c4c2c1cc(O)ccc1nc2cc(c3ccccc3)c4C(=O)N5 | | InChi: | InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25) | | Synonyms: | 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE | | Definition date: | 2004-08-25 | | Last modified: | 2021-03-13 | | Identifier: | 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione |
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 | | 834 | | Name: | N-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1H-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide | | Formula: | C23 H24 Cl N3 O3 | | SMILES: | Clc1ccccc1c2nc(c(n2NC(=O)c4ccc3OCCOc3c4C)C(C)C)C | | InChi: | InChI=1S/C23H24ClN3O3/c1-13(2)20-15(4)25-22(17-7-5-6-8-18(17)24)27(20)26-23(28)16-9-10-19-21(14(16)3)30-12-11-29-19/h5-10,13H,11-12H2,1-4H3,(H,26,28) | | Synonyms: | N-(2-(2-chlorophenyl)-5-isopropyl-4-methyl-1H-imidazol-1-yl)-5-methyl-2,3-dihyrobenzo[b][1,4]dioxine-6-carboxamide | | Definition date: | 2009-09-18 | | Last modified: | 2021-03-13 | | Identifier: | N-[2-(2-chlorophenyl)-4-methyl-5-(propan-2-yl)-1H-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
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 | | 83P | | Name: | (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide | | Formula: | C27 H24 N6 O3 | | SMILES: | CNC(=O)C3Cc2c1c(cccc1)nc2CN3C(=O)c4occc4CNc5cc6c(cc5)nccn6 | | InChi: | InChI=1S/C27H24N6O3/c1-28-26(34)24-13-19-18-4-2-3-5-20(18)32-23(19)15-33(24)27(35)25-16(8-11-36-25)14-31-17-6-7-21-22(12-17)30-10-9-29-21/h2-12,24,31-32H,13-15H2,1H3,(H,28,34)/t24-/m1/s1 | | Synonyms: | (3R)-N-methyl-2-(3-{[(quinoxalin-6-yl)amino]methyl}furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxamide | | Definition date: | 2016-12-22 | | Last modified: | 2021-03-13 | | Release date: | 2017-01-18 | | Identifier: | (3R)-N-methyl-2-(3-{[(quinoxalin-6-yl)amino]methyl}furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxamide |
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 | | ETB | | Name: | Ethyl Coenzyme A | | Formula: | C20 H34 N7 O16 P3 | | SMILES: | O=C(NC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C20H34N7O16P3/c1-20(2,15(30)18(31)23-5-4-11(28)22-3)7-40-46(37,38)43-45(35,36)39-6-10-14(42-44(32,33)34)13(29)19(41-10)27-9-26-12-16(21)24-8-25-17(12)27/h8-10,13-15,19,29-30H,4-7H2,1-3H3,(H,22,28)(H,23,31)(H,35,36)(H,37,38)(H2,21,24,25)(H2,32,33,34)/t10-,13-,14-,15+,19-/m1/s1 | | Synonyms: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-{[3-(methylamino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate | | Definition date: | 2007-11-27 | | Last modified: | 2021-03-13 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-{[3-(methylamino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate (non-preferred name) |
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 | | 84D | | Name: | Dibekacin | | Formula: | C18 H37 N5 O8 | | SMILES: | C3C(N)C(OC2C(N)CC(C(OC1OC(C(O)C(C1O)N)CO)C2O)N)OC(C3)CN | | InChi: | InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1 | | Synonyms: | (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside | | Definition date: | 2016-12-23 | | Last modified: | 2021-03-13 | | Release date: | 2018-04-11 | | Identifier: | (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside |
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 | | 84G | | Name: | Arbekacin | | Formula: | C22 H44 N6 O10 | | SMILES: | C(CN)C(C(=O)NC3C(OC1OC(C(C(C1O)N)O)CO)C(O)C(OC2OC(CCC2N)CN)C(C3)N)O | | InChi: | InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1 | | Synonyms: | (2S)-4-amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide | | Definition date: | 2016-12-23 | | Last modified: | 2021-03-13 | | Release date: | 2018-04-11 | | Identifier: | (2S)-4-amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide |
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 | | 858 | | Name: | C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN | | Formula: | C53 H78 N2 O12 | | SMILES: | O=C5C(=O)N1CCCCC1C(=O)OC(C(=C/C4CCC(Oc3cc2ccn(c2cc3)CC)C(OC)C4)/C)C(C)C(O)CC(=O)C(C=C(CC(CC(OC)C6OC5(O)C(C)CC6OC)C)C)CC | | InChi: | InChI=1S/C53H78N2O12/c1-11-37-24-31(3)23-32(4)25-46(63-9)49-47(64-10)27-34(6)53(61,67-49)50(58)51(59)55-21-14-13-15-41(55)52(60)66-48(35(7)42(56)30-43(37)57)33(5)26-36-16-19-44(45(28-36)62-8)65-39-17-18-40-38(29-39)20-22-54(40)12-2/h17-18,20,22,24,26,29,32,34-37,41-42,44-49,56,61H,11-16,19,21,23,25,27-28,30H2,1-10H3/b31-24+,33-26+/t32-,34+,35+,36-,37+,41-,42-,44+,45+,46-,47-,48+,49+,53+/m0/s1 | | Synonyms: | L-709,858 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-13 | | Identifier: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-8-ethyl-3-[(E)-2-{(1R,3R,4R)-4-[(1-ethyl-1H-indol-5-yl)oxy]-3-methoxycyclohexyl}-1-methylethenyl]-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone |
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 | | 85A | | Name: | 18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE | | Formula: | C23 H22 Cl N7 O3 | | SMILES: | Clc4cc2c(OCCCCCOc1nc(cnc1C#N)NC(=O)N2)cc4NCc3ccncc3 | | InChi: | InChI=1S/C23H22ClN7O3/c24-16-10-18-20(11-17(16)27-13-15-4-6-26-7-5-15)33-8-2-1-3-9-34-22-19(12-25)28-14-21(30-22)31-23(32)29-18/h4-7,10-11,14,27H,1-3,8-9,13H2,(H2,29,30,31,32) | | Synonyms: | 7-CHLORO-3-OXO-8-[(PYRIDIN-4-YLMETHYL)-AMINO]-11,17-DIOXA-2,4,20,22-TETRAAZA-TRICYCLO[16.3.1.0*5,10*]DOCOSA-1(21),5(10)6,8,18(22),19-HEXAENE-19-CARBONITRILE | | Definition date: | 2007-02-01 | | Last modified: | 2021-03-13 | | Identifier: | 18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1H,10H-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile |
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 | | 871 | | Name: | 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile | | Formula: | C20 H20 N2 O2 | | SMILES: | c13ccccc1CN(C(c2cc(C(C)C)c(CC#N)cc2O)=O)C3 | | InChi: | InChI=1S/C20H20N2O2/c1-13(2)17-10-18(19(23)9-14(17)7-8-21)20(24)22-11-15-5-3-4-6-16(15)12-22/h3-6,9-10,13,23H,7,11-12H2,1-2H3 | | Synonyms: | [4-(1,3-dihydro-2H-isoindole-2-carbonyl)-5-hydroxy-2-(propan-2-yl)phenyl]acetonitrile | | Definition date: | 2017-01-10 | | Last modified: | 2021-03-13 | | Release date: | 2018-01-10 | | Identifier: | [4-(1,3-dihydro-2H-isoindole-2-carbonyl)-5-hydroxy-2-(propan-2-yl)phenyl]acetonitrile |
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 | | 874 | | Name: | (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone | | Formula: | C19 H21 N O4 | | SMILES: | C1N(Cc2c1cccc2)C(c3cc(c(c(c3O)CO)O)C(C)C)=O | | InChi: | InChI=1S/C19H21NO4/c1-11(2)14-7-15(18(23)16(10-21)17(14)22)19(24)20-8-12-5-3-4-6-13(12)9-20/h3-7,11,21-23H,8-10H2,1-2H3 | | Synonyms: | (1,3-dihydro-2H-isoindol-2-yl)[2,4-dihydroxy-3-(hydroxymethyl)-5-(propan-2-yl)phenyl]methanone | | Definition date: | 2017-01-10 | | Last modified: | 2021-03-13 | | Release date: | 2018-01-03 | | Identifier: | (1,3-dihydro-2H-isoindol-2-yl)[2,4-dihydroxy-3-(hydroxymethyl)-5-(propan-2-yl)phenyl]methanone |
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 | | EXY | | Name: | 6-[(2R)-oxiran-2-yl]-L-norleucine | | Formula: | C8 H15 N O3 | | SMILES: | O=C(O)C(N)CCCCC1OC1 | | InChi: | InChI=1S/C8H15NO3/c9-7(8(10)11)4-2-1-3-6-5-12-6/h6-7H,1-5,9H2,(H,10,11)/t6-,7+/m1/s1 | | Synonyms: | (2S)-2-amino-7,8-epoxy octanoic acid | | Definition date: | 2008-06-25 | | Last modified: | 2021-03-13 | | Identifier: | 6-[(2R)-oxiran-2-yl]-L-norleucine |
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 | | 88W | | Name: | N~3~-(ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide | | Formula: | C14 H18 N4 O2 S | | SMILES: | O=C(NCC)NCCC(=O)Nc1ccc2nc(sc2c1)C | | InChi: | InChI=1S/C14H18N4O2S/c1-3-15-14(20)16-7-6-13(19)18-10-4-5-11-12(8-10)21-9(2)17-11/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H2,15,16,20) | | Synonyms: | 3-(ETHYLCARBAMOYLAMINO)-N-(2-METHYL-1,3-BENZOTHIAZOL-6- | | Definition date: | 2012-02-16 | | Last modified: | 2021-03-13 | | Identifier: | N~3~-(ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide |
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 | | F1I | | Name: | N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide | | Formula: | C18 H28 N2 O3 S | | SMILES: | O=C(NC2CCN(Cc1c(OC)cccc1OC)CC2)CCCS | | InChi: | InChI=1S/C18H28N2O3S/c1-22-16-5-3-6-17(23-2)15(16)13-20-10-8-14(9-11-20)19-18(21)7-4-12-24/h3,5-6,14,24H,4,7-13H2,1-2H3,(H,19,21) | | Synonyms: | N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide | | Definition date: | 2008-03-19 | | Last modified: | 2021-03-13 | | Identifier: | N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide |
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 | | F21 | | Name: | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | | Formula: | C14 H19 F N2 O2 S2 | | SMILES: | O=S(=O)(N1CCSCC1)c2ccc3c(c2)CNC(CF)C3 | | InChi: | InChI=1S/C14H19FN2O2S2/c15-9-13-7-11-1-2-14(8-12(11)10-16-13)21(18,19)17-3-5-20-6-4-17/h1-2,8,13,16H,3-7,9-10H2/t13-/m1/s1 | | Synonyms: | 3-FLUOROMETHYL 7-THIOMORPHOLINOSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE | | Definition date: | 2006-03-03 | | Last modified: | 2021-03-13 | | Identifier: | (3R)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline |
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 | | F2U | | Name: | 2'-deoxy-5-ethynyl-2',2'-difluorouridine | | Formula: | C11 H10 F2 N2 O5 | | SMILES: | O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2(F)F)CO | | InChi: | InChI=1S/C11H10F2N2O5/c1-2-5-3-15(10(19)14-8(5)18)9-11(12,13)7(17)6(4-16)20-9/h1,3,6-7,9,16-17H,4H2,(H,14,18,19)/t6-,7-,9-/m1/s1 | | Synonyms: | 2'-deoxy-2',2'-difluoro-5-ethynyluridine | | Definition date: | 2014-02-12 | | Last modified: | 2021-03-13 | | Release date: | 2014-08-13 | | Identifier: | 2'-deoxy-5-ethynyl-2',2'-difluorouridine |
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 | | POU | | Name: | Peloruside A | | Formula: | C27 H48 O11 | | SMILES: | O=C1OC(C(=C/C(CC)CO)C)CC(OC)CC(O)C(C)(C)C2(O)OC(CC(OC)C1O)CC(OC)C2O | | InChi: | InChI=1S/C27H48O11/c1-8-16(14-28)9-15(2)19-10-17(34-5)13-22(29)26(3,4)27(33)24(31)21(36-7)12-18(38-27)11-20(35-6)23(30)25(32)37-19/h9,16-24,28-31,33H,8,10-14H2,1-7H3/b15-9-/t16-,17-,18+,19+,20-,21-,22+,23+,24-,27+/m1/s1 | | Synonyms: | (1R,3R,4S,7S,9S,11S,13R,14R,15R)-4,11,13,14-tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one | | Definition date: | 2014-01-31 | | Last modified: | 2021-03-13 | | Release date: | 2014-03-26 | | Identifier: | (1R,3R,4S,7S,9S,11S,13R,14R,15R)-4,11,13,14-tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one |
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 | | PRT | | Name: | PHOSPHORIBOSYL ATP | | Formula: | C15 H25 N5 O20 P4 | | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=Nc3n(cnc3C2=N)[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]4O | | InChi: | InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H,31,32)(H,33,34)(H2,25,26,27)(H2,28,29,30)/b16-12-/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanylidene-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Definition date: | 2003-08-15 | | Last modified: | 2021-03-13 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanylidene-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | PTB | | Name: | (5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)[(2R)-PYRROLIDIN-2-YL]METHANONE | | Formula: | C11 H17 N3 O2 | | SMILES: | O=C(c1nnc(o1)C(C)(C)C)C2NCCC2 | | InChi: | InChI=1S/C11H17N3O2/c1-11(2,3)10-14-13-9(16-10)8(15)7-5-4-6-12-7/h7,12H,4-6H2,1-3H3/t7-/m0/s1 | | Synonyms: | 2-PROLYL-5-TERT-BUTYL-[1,3,4]OXADIAZOLE | | Definition date: | 2004-07-02 | | Last modified: | 2021-03-13 | | Identifier: | (5-tert-butyl-1,3,4-oxadiazol-2-yl)[(2S)-pyrrolidin-2-yl]methanone |
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 | | PTK | | Name: | pyrene-1,3,6,8-tetrasulfonic acid | | Formula: | C16 H10 O12 S4 | | SMILES: | O=S(=O)(O)c4cc(c2ccc1c(cc(c3c1c2c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | | InChi: | InChI=1S/C16H10O12S4/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28) | | Synonyms: | 1,3,6,8-pyrenetetrasulfonic acid | | Definition date: | 2009-08-27 | | Last modified: | 2021-03-13 | | Identifier: | pyrene-1,3,6,8-tetrasulfonic acid |
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 | | PUQ | | Name: | pelargonidin 3-O-beta-D-glucoside | | Formula: | C21 H22 O10 | | SMILES: | OC[CH]1O[CH](OC2=Cc3c(O)cc(O)cc3O[CH]2c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C21H22O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-28H,8H2/t16-,17-,18+,19-,20?,21+/m0/s1 | | Synonyms: | (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2~{H}-chromen-3-yl]oxy]oxane-3,4,5-triol | | Definition date: | 2020-04-28 | | Last modified: | 2021-03-13 | | Release date: | 2020-11-18 | | Identifier: | (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2~{H}-chromen-3-yl]oxy]oxane-3,4,5-triol |
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 | | PVQ | | Name: | (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione | | Formula: | C9 H12 N4 O4 | | SMILES: | N[CH](CN1C(=O)NC(=O)C2=C1CNC2)C(O)=O | | InChi: | InChI=1S/C9H12N4O4/c10-5(8(15)16)3-13-6-2-11-1-4(6)7(14)12-9(13)17/h5,11H,1-3,10H2,(H,15,16)(H,12,14,17)/t5-/m0/s1 | | Synonyms: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid | | Definition date: | 2020-04-28 | | Last modified: | 2021-03-13 | | Release date: | 2020-06-03 | | Identifier: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid |
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 | | 8A0 | | Name: | (4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile | | Formula: | C25 H23 F3 N4 O | | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3C)C(=C(N)Oc4n[nH]c(C)c14)C#N | | InChi: | InChI=1S/C25H23F3N4O/c1-13(2)24(20(12-29)22(30)33-23-21(24)15(4)31-32-23)17-9-16(10-18(11-17)25(26,27)28)19-8-6-5-7-14(19)3/h5-11,13H,30H2,1-4H3,(H,31,32)/t24-/m0/s1 | | Synonyms: | (s)-6-amino-4-isopropyl-3 methyl-4-(2'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | | Definition date: | 2017-05-25 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-29 | | Identifier: | (4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile |
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 | | 8A3 | | Name: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide | | Formula: | C27 H25 F6 N5 O3 S | | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)N(C)CC(F)(F)F)C(=C(N)Oc4n[nH]c(C)c14)C#N | | InChi: | InChI=1S/C27H25F6N5O3S/c1-14(2)26(21(12-34)23(35)41-24-22(26)15(3)36-37-24)18-9-17(10-19(11-18)27(31,32)33)16-5-7-20(8-6-16)42(39,40)38(4)13-25(28,29)30/h5-11,14H,13,35H2,1-4H3,(H,36,37)/t26-/m0/s1 | | Synonyms: | (s)-3'-(6-amino-5-cyano-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)-5'-(trifluoromethyl)-[1,1'-biphenyl]-4-sulfonamide | | Definition date: | 2017-05-25 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-29 | | Identifier: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide |
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 | | 8A6 | | Name: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide | | Formula: | C32 H30 F3 N5 O3 S | | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)N(C)Cc4ccccc4)C(=C(N)Oc5n[nH]c(C)c15)C#N | | InChi: | InChI=1S/C32H30F3N5O3S/c1-19(2)31(27(17-36)29(37)43-30-28(31)20(3)38-39-30)24-14-23(15-25(16-24)32(33,34)35)22-10-12-26(13-11-22)44(41,42)40(4)18-21-8-6-5-7-9-21/h5-16,19H,18,37H2,1-4H3,(H,38,39)/t31-/m0/s1 | | Synonyms: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide | | Definition date: | 2017-05-25 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-29 | | Identifier: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide |
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 | | 8B0 | | Name: | (4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile | | Formula: | C25 H20 F3 N5 O | | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3C#N)C(=C(N)Oc4n[nH]c(C)c14)C#N | | InChi: | InChI=1S/C25H20F3N5O/c1-13(2)24(20(12-30)22(31)34-23-21(24)14(3)32-33-23)17-8-16(9-18(10-17)25(26,27)28)19-7-5-4-6-15(19)11-29/h4-10,13H,31H2,1-3H3,(H,32,33)/t24-/m0/s1 | | Synonyms: | (s)-6-amino-4-(2'-cyano-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | | Definition date: | 2017-05-25 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-29 | | Identifier: | (4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile |
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