 | | AKX | | Name: | (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol | | Formula: | C39 H52 O3 | | SMILES: | C[CH](CCCC(O)(Cc1ccccc1)Cc2ccccc2)[CH]3CC[CH]4C(CCC[C]34C)=CC=C5C[CH](O)C(=C)[CH](O)C5 | | InChi: | InChI=1S/C39H52O3/c1-28(12-10-23-39(42,26-30-13-6-4-7-14-30)27-31-15-8-5-9-16-31)34-20-21-35-33(17-11-22-38(34,35)3)19-18-32-24-36(40)29(2)37(41)25-32/h4-9,13-16,18-19,28,34-37,40-42H,2,10-12,17,20-27H2,1,3H3/b33-19+/t28-,34-,35+,36-,37-,38-/m1/s1 | | Synonyms: | 2-methylidene-26,27-diphenyl-19-nor-1,25-dihydroxy vitamin D3 | | Definition date: | 2016-05-11 | | Last modified: | 2021-03-13 | | Release date: | 2016-06-29 | | Identifier: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol |
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 | | ALI | | Name: | METHYL N-ACETYL ALLOSAMINE | | Formula: | C8 H12 N2 O4 | | SMILES: | N1=C(N=C)OC2C1C(O)C(O)C2CO | | InChi: | InChI=1S/C8H12N2O4/c1-9-8-10-4-6(13)5(12)3(2-11)7(4)14-8/h3-7,11-13H,1-2H2/t3-,4-,5-,6-,7+/m1/s1 | | Synonyms: | (4R,5R,6R)-6-(HYDROXYMETHYL)-2-(METHYLENEAMINO)-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA[D][1,3]OXAZOLE-4,5-DIOL | | Definition date: | 2003-03-10 | | Last modified: | 2021-03-13 | | Identifier: | (3aR,4R,5R,6R,6aS)-6-(hydroxymethyl)-2-(methylideneamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol |
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 | | ALJ | | Name: | CYCLO-(L-ARGININE-L-PROLINE) INHIBITOR | | Formula: | C11 H19 N5 O2 | | SMILES: | O=C1N2C(C(=O)NC1CCC/N=C(N)N)CCC2 | | InChi: | InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1 | | Synonyms: | N''-{3-[(3S,8AR)-1,4-DIOXOOCTAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL]PROPYL}GUANIDINE | | Definition date: | 2004-06-24 | | Last modified: | 2021-03-13 | | Identifier: | 2-{3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}guanidine |
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 | | 3MM | | Name: | (1R)-1-CARBOXY-N,N,N-TRIMETHYL-3-(METHYLSULFANYL)PROPAN-1-AMINIUM | | Formula: | C8 H18 N O2 S | | SMILES: | O=C(O)C([N+](C)(C)C)CCSC | | InChi: | InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m1/s1 | | Synonyms: | N,N,N-TRIMETHYL-L-METHIONINE | | Definition date: | 2008-03-17 | | Last modified: | 2021-03-13 | | Identifier: | (1R)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium |
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 | | 3NA | | Name: | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | | Formula: | C18 H11 F3 N2 O2 S | | SMILES: | O=C(O)Cn2c1ccccc1c(c2)Cc3nc4c(F)c(F)cc(F)c4s3 | | InChi: | InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25) | | Synonyms: | 3-[(4,5,7-TRIFLUOROBENZOTHIAZOL-2-YL)METHYL]INDOLE-N-ACETIC ACID | | Definition date: | 2005-03-17 | | Last modified: | 2021-03-13 | | Identifier: | {3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid |
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 | | 3O7 | | Name: | 1,4,5,8-tetrahydroxyanthracene-9,10-dione | | Formula: | C14 H8 O6 | | SMILES: | O=C2c1c(c(O)ccc1O)C(=O)c3c2c(O)ccc3O | | InChi: | InChI=1S/C14H8O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-18H | | Synonyms: | 1,4,5,8-Tetrahydroxy anthraquinone | | Definition date: | 2014-09-29 | | Last modified: | 2021-03-13 | | Release date: | 2015-03-18 | | Identifier: | 1,4,5,8-tetrahydroxyanthracene-9,10-dione |
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 | | 3ON | | Name: | (3R)-3-HYDROXY-8'-APOCAROTENOL | | Formula: | C30 H42 O2 | | SMILES: | OC1CC(=C(C=CC(=CC=CC(=C/C=C/C=C(C=CC=C(/C)CO)C)C)C)C(C)(C)C1)C | | InChi: | InChI=1S/C30H42O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12-,24-13-,25-16+,26-17+/t28-/m1/s1 | | Synonyms: | (1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-HYDROXY-3,7,12,16-TETRAMETHYLHEPTADECA-1,3,5,7,9,11,13,15-OCTAEN-1-YL]-3,5,5-TRIMETHYLCYCLOHEX-3-EN-1-OL | | Definition date: | 2005-01-26 | | Last modified: | 2021-03-13 | | Identifier: | (1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol |
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 | | ANH | | Name: | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | | Formula: | C20 H24 N4 O5 S | | SMILES: | O=S(=O)(c1ccc(cc1)C)NCC(=O)NC(C(=O)OC)Cc2cc(ccc2)C(=[N@H])N | | InChi: | InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)/t17-/m0/s1 | | Synonyms: | NALPHA-(2-NAPHTHYLSULFONYLGLYCYL)-3-AMIDINO-D,L-PHENYLALANINE-ISOPROPYLESTER | | Definition date: | 2003-10-20 | | Last modified: | 2021-03-13 | | Identifier: | methyl N-[(4-methylphenyl)sulfonyl]glycyl-3-carbamimidoyl-L-phenylalaninate |
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 | | 3P4 | | Name: | 5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE | | Formula: | C23 H29 N6 O3 | | SMILES: | O=C2c3n[n+](c(c3N=C(c1cc(C(O)=C)cnc1OCCC=C)N2)CC)C4CN(CC)C4 | | InChi: | InChI=1S/C23H28N6O3/c1-5-8-9-32-23-17(10-15(11-24-23)14(4)30)21-25-19-18(6-2)29(16-12-28(7-3)13-16)27-20(19)22(31)26-21/h5,10-11,16H,1,4,6-9,12-13H2,2-3H3,(H2,25,26,30,31)/p+1 | | Synonyms: | 5-(5-ACETYL-2-BUTOXY-3-PYRIDINYL)-3-ETHYL-2-(1-ETHYL-3-AZETIDINYL)-2,6-DIHYDRO-7H-PYRAZOLO (4,3-D) PYRIMIDIN-7-ONE | | Definition date: | 2006-03-15 | | Last modified: | 2021-03-13 | | Identifier: | 5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyethenyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-2-ium |
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 | | AO7 | | Name: | 4-oxo-4H-1-benzopyran-2-carboxylic acid | | Formula: | C10 H6 O4 | | SMILES: | C(=O)(O)C2=CC(c1ccccc1O2)=O | | InChi: | InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13) | | Synonyms: | 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPOXY)-,(1A,2A,3B,5Z,7E) | | Definition date: | 2017-07-20 | | Last modified: | 2021-03-13 | | Release date: | 2018-09-19 | | Identifier: | 4-oxo-4H-1-benzopyran-2-carboxylic acid |
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 | | 3PJ | | Name: | N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide | | Formula: | C28 H33 F3 N2 O3 | | SMILES: | FC(F)(F)C(O)(c1ccc(cc1)C(=O)N(C2CC2)C4CCC(c3ccccc3)(CC4)CCC(=O)N)C | | InChi: | InChI=1S/C28H33F3N2O3/c1-26(36,28(29,30)31)20-9-7-19(8-10-20)25(35)33(22-11-12-22)23-13-16-27(17-14-23,18-15-24(32)34)21-5-3-2-4-6-21/h2-10,22-23,36H,11-18H2,1H3,(H2,32,34)/t23-,26-,27-/m0/s1 | | Synonyms: | N-((1r,4S)-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide | | Definition date: | 2010-10-29 | | Last modified: | 2021-03-13 | | Identifier: | N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide |
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 | | AOI | | Name: | Androsterone | | Formula: | C19 H30 O2 | | SMILES: | O=C2C1(CCC3C(C1CC2)CCC4C3(CCC(O)C4)C)C | | InChi: | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1 | | Synonyms: | (3alpha,5beta,8alpha,10alpha,13alpha,14beta)-3-hydroxyandrostan-17-one | | Definition date: | 2013-06-25 | | Last modified: | 2021-03-13 | | Release date: | 2013-07-03 | | Identifier: | (3alpha,5beta,8alpha,10alpha,13alpha,14beta)-3-hydroxyandrostan-17-one |
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 | | AP4 | | Name: | 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE | | Formula: | C8 H9 N5 O3 | | SMILES: | O=C1C3=C(N=C(N)N1)NCC2N3C(=O)OC2 | | InChi: | InChI=1S/C8H9N5O3/c9-7-11-5-4(6(14)12-7)13-3(1-10-5)2-16-8(13)15/h3H,1-2H2,(H4,9,10,11,12,14)/t3-/m1/s1 | | Synonyms: | 5,6-CYCLIC-TETRAHYDROPTERIDINE | | Definition date: | 1999-12-16 | | Last modified: | 2021-03-13 | | Identifier: | (6aR)-3-amino-5,6,6a,7-tetrahydro[1,3]oxazolo[3,4-f]pteridine-1,9(2H)-dione |
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 | | APC | | Name: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | | Formula: | C11 H18 N5 O12 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1 | | Synonyms: | ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-13 | | Identifier: | 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine |
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 | | 3T3 | | Name: | [(amino-kappaN)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium | | Formula: | C24 H22 F N4 O3 Ru S4 | | SMILES: | O=C1c3c(C(=O)N1)c2cc(F)cn9c2c5c3c4cc(O)ccc4n5[Ru]798(NCS)S6CCS8CCS7CC6 | | InChi: | InChI=1S/C17H8FN3O3.C6H12S3.CH4NS.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6 | | Synonyms: | (3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato)(1,4,7-trithiacyclodecan)ruthenium(II)-isothiocyanate | | Definition date: | 2014-12-21 | | Last modified: | 2021-03-13 | | Release date: | 2015-01-21 | | Identifier: | [(amino-kappaN)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium |
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 | | 3TL | | Name: | benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Formula: | C50 H64 N6 O10 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(Cc2ccccc2)C(O)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc3ccccc3)C)C(C)C)Cc4ccccc4)C(C)C)C | | InChi: | InChI=1S/C50H64N6O10/c1-31(2)41(55-45(59)33(5)51-49(63)65-29-37-23-15-9-16-24-37)47(61)53-39(27-35-19-11-7-12-20-35)43(57)44(58)40(28-36-21-13-8-14-22-36)54-48(62)42(32(3)4)56-46(60)34(6)52-50(64)66-30-38-25-17-10-18-26-38/h7-26,31-34,39-44,57-58H,27-30H2,1-6H3,(H,51,63)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,60)/t33-,34-,39-,40-,41-,42-,43+,44+/m0/s1 | | Synonyms: | TL-3, C2 symmetric inhibitor | | Definition date: | 2007-03-26 | | Last modified: | 2021-03-13 | | Identifier: | benzyl [(5S,8S,11S,12R,13R,14S,17S,20S)-11,14-dibenzyl-12,13-dihydroxy-5-methyl-3,6,9,16,19-pentaoxo-1-phenyl-8,17-di(propan-2-yl)-2-oxa-4,7,10,15,18-pentaazahenicosan-20-yl]carbamate (non-preferred name) |
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 | | 3V4 | | Name: | (+)-3-carene | | Formula: | C10 H16 | | SMILES: | C1(=CCC2C(C1)C2(C)C)C | | InChi: | InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1 | | Synonyms: | (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene | | Definition date: | 2014-11-11 | | Last modified: | 2021-03-13 | | Release date: | 2015-01-28 | | Identifier: | (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
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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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 | | 2DD | | Name: | 3-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 4-SULFAMOYL-BENZYLAMIDE | | Formula: | C17 H15 Cl N4 O5 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)CNC(=O)c3cnnc3c2c(O)cc(O)c(Cl)c2 | | InChi: | InChI=1S/C17H15ClN4O5S/c18-13-5-11(14(23)6-15(13)24)16-12(8-21-22-16)17(25)20-7-9-1-3-10(4-2-9)28(19,26)27/h1-6,8,23-24H,7H2,(H,20,25)(H,21,22)(H2,19,26,27) | | Synonyms: | N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE | | Definition date: | 2005-08-02 | | Last modified: | 2021-03-13 | | Identifier: | 5-(5-chloro-2,4-dihydroxyphenyl)-N-(4-sulfamoylbenzyl)-1H-pyrazole-4-carboxamide |
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 | | 2DT | | Name: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE | | Formula: | C10 H15 N2 O7 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(CC2)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | | Synonyms: | 2',3'-DIDEOXYTHYMIDINE-5'-MONOPHOSPHATE | | Definition date: | 1999-07-07 | | Last modified: | 2021-03-13 | | Identifier: | [(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
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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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 | | 2FR | | Name: | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | | Formula: | C24 H25 N5 O | | SMILES: | O=C(N)CCc1cc(ccc1)n4nc(c2c4cc(nc2)NC(c3ccccc3)C)C | | InChi: | InChI=1S/C24H25N5O/c1-16(19-8-4-3-5-9-19)27-24-14-22-21(15-26-24)17(2)28-29(22)20-10-6-7-18(13-20)11-12-23(25)30/h3-10,13-16H,11-12H2,1-2H3,(H2,25,30)(H,26,27)/t16-/m0/s1 | | Synonyms: | 3-{3-[3-methyl-6-(1-phenyl-ethylamino)-pyrazolo[4,3-c]pyridin-1-yl]-phenyl}-propionamide | | Definition date: | 2008-06-16 | | Last modified: | 2021-03-13 | | Identifier: | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide |
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 | | 2HI | | Name: | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-4H-CHROMEN-4-ONE | | Formula: | C15 H12 O5 | | SMILES: | O=C1c3c(OC(O)C1c2ccc(O)cc2)cc(O)cc3 | | InChi: | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-14(18)11-6-5-10(17)7-12(11)20-15(13)19/h1-7,13,15-17,19H/t13-,15-/m0/s1 | | Synonyms: | 2,7,4'-TRIHYDROXYISOFLAVANONE | | Definition date: | 2005-04-26 | | Last modified: | 2021-03-13 | | Identifier: | (2S,3R)-2,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one |
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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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