 | | HGG | | Name: | (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide | | Formula: | C26 H42 N7 O20 P3 S | | SMILES: | O=C(O)CC(O)CC(=O)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 | | InChi: | InChI=1S/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,14+,19+,20+,21-,25+/m0/s1 | | Synonyms: | 3-Hydroxyl Glutaryl CoA | | Definition date: | 2010-04-29 | | Last modified: | 2021-03-01 | | Identifier: | (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name) |
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 | | HMG | | Name: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A | | Formula: | C27 H39 N7 O20 P3 S | | SMILES: | [O-]C(=O)CC(O)(C)CC(=O)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 | | InChi: | InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1 | | Synonyms: | (S)-HMG-COA | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name) |
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 | | S5T | | Name: | Monolacunary Keggin (STA) | | Formula: | O39 Si W11 | | SMILES: | O=[W]12(=O)O[W]345(=O)O[W]678(=O)O[W]9%10(=O)(O3)O[W]%11%12%13(=O)O[W]%14%15(=O)(O6)O[W]%16%17(=O)(O7)O[W]%18(=O)(O1)(O4)O[W]%19(=O)(=O)(O%16)O[W](=O)(=O)(O%14)(O%11)[O]%12%15[Si](O[W](=O)(=O)(O2)(O9)O%13)([O]58%10)[O]%17%18%19 | | InChi: | InChI=1S/O4Si.35O.11W/c1-5(2,3)4 | | Definition date: | 2020-11-09 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 |
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 | | U41 | | Name: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide | | Formula: | C21 H20 Cl F N2 O2 | | SMILES: | C(=O)(c1cccc(c1)Cl)NC24CC(C2)(C(C(=O)Nc3ccc(cc3)F)C)C4 | | InChi: | InChI=1S/C21H20ClFN2O2/c1-13(18(26)24-17-7-5-16(23)6-8-17)20-10-21(11-20,12-20)25-19(27)14-3-2-4-15(22)9-14/h2-9,13H,10-12H2,1H3,(H,24,26)(H,25,27)/t13-,20-,21+/m1/s1 | | Definition date: | 2020-04-15 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide |
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 | | ARI | | Name: | (2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate | | Formula: | C8 H14 O4 | | SMILES: | O=C(OC1C(OC(O)CC1)C)C | | InChi: | InChI=1S/C8H14O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h5,7-8,10H,3-4H2,1-2H3/t5-,7-,8-/m1/s1 | | Synonyms: | [O4]-ACETOXY-2,3-DIDEOXYFUCOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | (2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate |
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 | | 3GJ | | Name: | N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide | | Formula: | C19 H17 Cl2 N3 O4 | | SMILES: | Clc1cncc(Cl)c1NC(=O)c3cc(OCc2onc(c2)CC)c(OC)cc3 | | InChi: | InChI=1S/C19H17Cl2N3O4/c1-3-12-7-13(28-24-12)10-27-17-6-11(4-5-16(17)26-2)19(25)23-18-14(20)8-22-9-15(18)21/h4-9H,3,10H2,1-2H3,(H,22,23,25) | | Definition date: | 2014-08-15 | | Last modified: | 2020-06-27 | | Release date: | 2014-11-05 | | Identifier: | N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide |
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 | | L4C | | Name: | (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID | | Formula: | C10 H14 N2 O8 | | SMILES: | O=C(O)C(=NOCC(NC(=O)C)C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C10H14N2O8/c1-5(13)11-7(10(18)19)4-20-12-6(9(16)17)2-3-8(14)15/h7H,2-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)(H,18,19)/b12-6+/t7-/m0/s1 | | Synonyms: | LACTIVICIN | | Definition date: | 2007-01-15 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-2-{[(2S)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid |
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 | | XN1 | | Name: | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PEN
TANAMIDE | | Formula: | C37 H49 N5 O4 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(C(c3ccccc3)C)CC(O)CN5C(C(=O)NC(C)(C)C)CN(Cc4cnccc4)CC5 | | InChi: | InChI=1S/C37H49N5O4/c1-25(27-12-6-5-7-13-27)31(35(45)39-34-30-15-9-8-14-28(30)19-33(34)44)20-29(43)23-42-18-17-41(22-26-11-10-16-38-21-26)24-32(42)36(46)40-37(2,3)4/h5-16,21,25,29,31-34,43-44H,17-20,22-24H2,1-4H3,(H,39,45)(H,40,46)/t25-,29+,31+,32+,33-,34+/m1/s1 | | Synonyms: | ANALOGUE OF INDINAVIR | | Definition date: | 2001-11-05 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-N-tert-butyl-1-[(2S,4S,5S)-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-phenylhexyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide (non-preferred name) |
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 | | XN2 | | Name: | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4-HYDROXY-2-(1-PHE
NYLETHYL)-PENTANAMIDE | | Formula: | C39 H50 N4 O6 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(C(c3ccccc3)C)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc5ccc6OCOc6c5 | | InChi: | InChI=1S/C39H50N4O6/c1-25(27-10-6-5-7-11-27)31(37(46)40-36-30-13-9-8-12-28(30)19-33(36)45)20-29(44)22-43-17-16-42(23-32(43)38(47)41-39(2,3)4)21-26-14-15-34-35(18-26)49-24-48-34/h5-15,18,25,29,31-33,36,44-45H,16-17,19-24H2,1-4H3,(H,40,46)(H,41,47)/t25-,29+,31+,32+,33-,36+/m1/s1 | | Synonyms: | ANALOGUE OF INDINAVIR DRUG | | Definition date: | 2001-11-05 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-4-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-1-[(2S,4S,5S)-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-phenylhexyl]piperazine-2-carboxamide (non-preferred name) |
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 | | MK1 | | Name: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY
BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | | Formula: | C36 H47 N5 O4 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN5C(C(=O)NC(C)(C)C)CN(Cc4cnccc4)CC5 | | InChi: | InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | | Synonyms: | INDINAVIR | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide (non-preferred name) |
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 | | N4P | | Name: | N,N-bis(3-aminopropyl)butane-1,4-diamine | | Formula: | C10 H26 N4 | | SMILES: | NCCCCN(CCCN)CCCN | | InChi: | InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2 | | Synonyms: | N4-aminopropylspermidine | | Definition date: | 2016-02-26 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-15 | | Identifier: | ~{N}',~{N}'-bis(3-azanylpropyl)butane-1,4-diamine |
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 | | 7DZ | | Name: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one | | Formula: | C19 H23 F2 N5 O2 | | SMILES: | CN3c1c(nc(nc1)Nc2cc(c(c(c2)F)O)F)N(CCC(C)C)C(C3=O)C | | InChi: | InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)/t11-/m0/s1 | | Synonyms: | BI-D1870 | | Definition date: | 2016-10-13 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-02 | | Identifier: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one |
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 | | 86B | | Name: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide | | Formula: | C12 H20 N2 O4 S | | SMILES: | c1(S(=O)(=O)N)ccc(cc1)OCC(CNC(C)C)O | | InChi: | InChI=1S/C12H20N2O4S/c1-9(2)14-7-10(15)8-18-11-3-5-12(6-4-11)19(13,16)17/h3-6,9-10,14-15H,7-8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | | Synonyms: | aryloxy-2-hydroxypropylammine sulfonamide | | Definition date: | 2017-08-02 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-01 | | Identifier: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide |
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 | | OIS | | Name: | (S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3
-((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE | | Formula: | C34 H46 N6 O6 S2 | | SMILES: | O=S(=O)(c1ccc(C=NO)cc1)N(CC(C)C)CC(O)C(NC(=O)C(N2C(=O)N(CC2)Cc3nc(sc3)C)C(C)C)Cc4ccccc4 | | InChi: | InChI=1S/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-11-27(12-14-29)18-35-44)21-31(41)30(17-26-9-7-6-8-10-26)37-33(42)32(24(3)4)40-16-15-38(34(40)43)20-28-22-47-25(5)36-28/h6-14,18,22-24,30-32,41,44H,15-17,19-21H2,1-5H3,(H,37,42)/b35-18+/t30-,31+,32-/m0/s1 | | Synonyms: | OXIMINOARYLSULFONAMIDE | | Definition date: | 2005-02-11 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-N-{(1S,2R)-1-benzyl-2-hydroxy-3-[({4-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)(2-methylpropyl)amino]propyl}-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide |
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 | | 42G | | Name: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide | | Formula: | C21 H29 N3 O5 S | | SMILES: | c1(S(=O)(=O)N)ccc(cc1)CCNC(=O)c2ccc(cc2)OCC(O)CNC(C)C | | InChi: | InChI=1S/C21H29N3O5S/c1-15(2)24-13-18(25)14-29-19-7-5-17(6-8-19)21(26)23-12-11-16-3-9-20(10-4-16)30(22,27)28/h3-10,15,18,24-25H,11-14H2,1-2H3,(H,23,26)(H2,22,27,28)/t18-/m1/s1 | | Synonyms: | aryloxy-2-hydroxypropylammine sulfonamide | | Definition date: | 2017-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-01 | | Identifier: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide |
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 | | TBU | | Name: | TERTIARY-BUTYL ALCOHOL | | Formula: | C4 H10 O | | SMILES: | OC(C)(C)C | | InChi: | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 | | Synonyms: | 2-METHYL-2-PROPANOL | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-methylpropan-2-ol |
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 | | BE3 | | Name: | N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Formula: | C38 H38 F2 N2 O8 | | SMILES: | Fc1cccc(c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cccc(F)c4)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H38F2N2O8/c39-25-11-5-7-21(15-25)19-49-35(37(47)41-31-27-13-3-1-9-23(27)17-29(31)43)33(45)34(46)36(50-20-22-8-6-12-26(40)16-22)38(48)42-32-28-14-4-2-10-24(28)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | Synonyms: | INHIBITOR BEA403 | | Definition date: | 2004-08-10 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-2,5-bis[(3-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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 | | BEB | | Name: | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Formula: | C38 H40 N2 O8 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(OCc3ccccc3)C(O)C(O)C(OCc4ccccc4)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H40N2O8/c41-29-19-25-15-7-9-17-27(25)31(29)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-32-28-18-10-8-16-26(28)20-30(32)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | Synonyms: | INHIBITOR BEA369 | | Definition date: | 2000-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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 | | BED | | Name: | N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Formula: | C38 H38 F2 N2 O8 | | SMILES: | Fc1ccccc1COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4ccccc4F)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | Synonyms: | INHIBITOR BEA403 | | Definition date: | 2000-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-2,5-bis[(2-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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 | | BEJ | | Name: | N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE] | | Formula: | C42 H52 N6 O8 | | SMILES: | O=C(NC)C(NC(=O)C(OCc2ccc(c1cccnc1)cc2)C(O)C(O)C(OCc4ccc(c3cccnc3)cc4)C(=O)NC(C(=O)NC)C(C)C)C(C)C | | InChi: | InChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-11-15-29(16-12-27)31-9-7-19-45-21-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-13-17-30(18-14-28)32-10-8-20-46-22-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1 | | Synonyms: | INHIBITOR BEA428 | | Definition date: | 2000-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[(4-pyridin-3-ylbenzyl)oxy]hexanediamide (non-preferred name) |
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 | | C01 | | Name: | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | | Formula: | C25 H30 N O5 | | SMILES: | [O-]C(=O)C(Oc2c(cc1c(ON(C1=O)C)c2CCC)CCC)c3ccc(cc3)C(C)C | | InChi: | InChI=1S/C25H31NO5/c1-6-8-18-14-20-23(31-26(5)24(20)27)19(9-7-2)21(18)30-22(25(28)29)17-12-10-16(11-13-17)15(3)4/h10-15,22H,6-9H2,1-5H3,(H,28,29)/p-1/t22-/m0/s1 | | Synonyms: | ALPHA-ARYLOXYPHENYLACETIC ACID AGONIST | | Definition date: | 2005-04-26 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-[4-(1-methylethyl)phenyl][(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]ethanoate |
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 | | JEY | | Name: | N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide | | Formula: | C19 H20 N2 O2 | | SMILES: | C(c3c1cc(OC)ccc1nc3c2ccccc2)CNC(=O)C | | InChi: | InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22) | | Synonyms: | 2-phenylmelatonin | | Definition date: | 2018-09-06 | | Last modified: | 2020-06-17 | | Release date: | 2019-04-24 | | Identifier: | N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide |
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 | | SY7 | | Name: | 2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine | | Formula: | C28 H30 N6 O4 | | SMILES: | COc1cc(CN2[CH](N[CH]([CH]2c3ccnc(OC)c3)c4ccnc(OC)c4)c5ccnc(OC)c5)ccn1 | | InChi: | InChI=1S/C28H30N6O4/c1-35-22-13-18(5-9-29-22)17-34-27(20-7-11-31-24(15-20)37-3)26(19-6-10-30-23(14-19)36-2)33-28(34)21-8-12-32-25(16-21)38-4/h5-16,26-28,33H,17H2,1-4H3/t26-,27-,28-/m0/s1 | | Definition date: | 2020-03-13 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine |
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 | | AIN | | Name: | 2-(ACETYLOXY)BENZOIC ACID | | Formula: | C9 H8 O4 | | SMILES: | O=C(Oc1ccccc1C(=O)O)C | | InChi: | InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) | | Synonyms: | ACETYLSALICYLIC ACID | | Definition date: | 2004-04-08 | | Last modified: | 2020-05-26 | | Identifier: | 2-(acetyloxy)benzoic acid |
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 | | K4B | | Name: | 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide | | Formula: | C17 H19 N3 O3 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(C2)Cc3ccccc3 | | InChi: | InChI=1S/C17H19N3O3S/c18-24(22,23)16-8-6-15(7-9-16)17(21)20-11-10-19(13-20)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,18,22,23) | | Definition date: | 2019-04-22 | | Last modified: | 2020-05-08 | | Release date: | 2020-05-13 | | Identifier: | 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide |
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