 | | FIT | | Name: | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide | | Formula: | C23 H36 N2 O2 | | SMILES: | O=C(NC(C)(C)C)C2C1(CCC3C(C1CC2)CCC4NC(=O)C=CC34C)C | | InChi: | InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1 | | Synonyms: | FINASTERIDE | | Definition date: | 2009-02-11 | | Last modified: | 2021-03-01 | | Identifier: | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide |
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 | | FIX | | Name: | D-fructuronic acid | | Formula: | C6 H8 O7 | | SMILES: | O=C(O)C(O)C(O)C(O)C(=O)C=O | | InChi: | InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1,3-5,9-11H,(H,12,13)/t3-,4+,5+/m1/s1 | | Synonyms: | D-Fructuronate | | Definition date: | 2009-05-26 | | Last modified: | 2021-03-01 | | Identifier: | D-fructosuronic acid |
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 | | FJR | | Name: | 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide | | Formula: | C17 H14 N2 O3 | | SMILES: | Cc1ccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)cc1 | | InChi: | InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)/b18-16- | | Synonyms: | 8-hydroxy-2-imino-N-(p-tolyl)-2H-chromene-3-carboxamide | | Definition date: | 2020-05-27 | | Last modified: | 2021-03-01 | | Release date: | 2020-09-23 | | Identifier: | 2-azanylidene-~{N}-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide |
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 | | FJU | | Name: | 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide | | Formula: | C18 H16 N2 O3 | | SMILES: | CCc1cccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)c1 | | InChi: | InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)/b19-17- | | Synonyms: | N-(3-ethylphenyl)-8-hydroxy-2-imino-2H-chromene-3-carboxamide | | Definition date: | 2020-05-27 | | Last modified: | 2021-03-01 | | Release date: | 2020-09-23 | | Identifier: | 2-azanylidene-~{N}-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide |
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 | | D65 | | Name: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | Formula: | C14 H12 F7 N5 S | | SMILES: | FS(F)(F)(F)(F)c1ccc(cc1)Nc2cc(nc3nc(nn23)C(F)(F)C)C | | InChi: | InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3 | | Synonyms: | DSM265 | | Definition date: | 2014-12-09 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-29 | | Identifier: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
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 | | D66 | | Name: | N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine | | Formula: | C17 H26 N2 O5 | | SMILES: | O=C(O)C(NC(=O)C(O)C(N)Cc1ccc(OC)cc1)CC(C)C | | InChi: | InChI=1S/C17H26N2O5/c1-10(2)8-14(17(22)23)19-16(21)15(20)13(18)9-11-4-6-12(24-3)7-5-11/h4-7,10,13-15,20H,8-9,18H2,1-3H3,(H,19,21)(H,22,23)/t13-,14+,15+/m1/s1 | | Synonyms: | Bestatin-derivative 7c | | Definition date: | 2011-01-11 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine |
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 | | D7P | | Name: | D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-D-ORNITHINAMIDE | | Formula: | C15 H25 N7 O4 | | SMILES: | O=C(N)C(NC(=O)C(N)Cc1ccccc1)CCCNC(=[N@H])NN(O)O | | InChi: | InChI=1S/C15H25N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12,25-26H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1 | | Synonyms: | D-PHENYLALANINE-D-NITROARGININE AMIDE | | Definition date: | 2003-12-18 | | Last modified: | 2021-03-01 | | Identifier: | D-phenylalanyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide |
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 | | D7S | | Name: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid | | Formula: | C27 H42 O3 | | SMILES: | O=C(O)C(C)CCCC(C)C4C3(CCC1C(=CCC2CC(=O)CCC12C)C3CC4)C | | InChi: | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1 | | Synonyms: | (25S)-delta7-dafachronic acid | | Definition date: | 2011-11-18 | | Last modified: | 2021-03-01 | | Identifier: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid |
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 | | D8E | | Name: | ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide | | Formula: | C26 H34 F N5 O6 | | SMILES: | CN1CCCC[CH](NC(=O)c2cc(C)on2)C(=O)N[CH](Cc3ccc(F)cc3)C(=O)N[CH](CO)CCC1=O | | InChi: | InChI=1S/C26H34FN5O6/c1-16-13-22(31-38-16)26(37)29-20-5-3-4-12-32(2)23(34)11-10-19(15-33)28-25(36)21(30-24(20)35)14-17-6-8-18(27)9-7-17/h6-9,13,19-21,33H,3-5,10-12,14-15H2,1-2H3,(H,28,36)(H,29,37)(H,30,35)/t19-,20-,21-/m0/s1 | | Synonyms: | LIPID FRAGMENT | | Definition date: | 2018-01-09 | | Last modified: | 2021-03-01 | | Release date: | 2018-02-21 | | Identifier: | ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide |
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 | | DB7 | | Name: | dibutyl benzene-1,2-dicarboxylate | | Formula: | C16 H22 O4 | | SMILES: | O=C(OCCCC)c1ccccc1C(=O)OCCCC | | InChi: | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 | | Synonyms: | Dibutyl phthalate | | Definition date: | 2012-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-02 | | Identifier: | dibutyl benzene-1,2-dicarboxylate |
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 | | DBN | | Name: | 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE | | Formula: | C23 H20 N6 S | | SMILES: | n3c2c(cc(C1=NCCN1)cc2)nc3c4sc(cc4)c6ccc(C5=NCCN5)cc6 | | InChi: | InChI=1S/C23H20N6S/c1-3-15(21-24-9-10-25-21)4-2-14(1)19-7-8-20(30-19)23-28-17-6-5-16(13-18(17)29-23)22-26-11-12-27-22/h1-8,13H,9-12H2,(H,24,25)(H,26,27)(H,28,29) | | Synonyms: | DB819 | | Definition date: | 2005-10-06 | | Last modified: | 2021-03-01 | | Identifier: | 6-(4,5-dihydro-1H-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]thiophen-2-yl}-1H-benzimidazole |
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 | | DD6 | | Name: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol | | Formula: | C40 H54 O3 | | SMILES: | CC([C@H]=C[C@H]=C(C#CC=1C(C)(C)CC(CC=1C)O)C)=[C@H]C=[C@H]C=C(/C)C=CC=C(/C)C=C/C32OC2(CC(CC3(C)C)O)C | | InChi: | InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23-,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 | | Synonyms: | Diadinoxanthin | | Definition date: | 2018-10-17 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-06 | | Identifier: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol |
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 | | DF0 | | Name: | (2-fluorobiphenyl-4-yl)acetic acid | | Formula: | C14 H11 F O2 | | SMILES: | Fc2cc(ccc2c1ccccc1)CC(=O)O | | InChi: | InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17) | | Synonyms: | Des-methylflurbiprofen | | Definition date: | 2012-06-29 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | (2-fluorobiphenyl-4-yl)acetic acid |
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 | | DFV | | Name: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE | | Formula: | C15 H12 O4 | | SMILES: | O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3 | | InChi: | InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1 | | Synonyms: | 5-DEOXYFLAVANONE | | Definition date: | 2000-08-29 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one |
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 | | DGB | | Name: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide | | Formula: | C24 H29 N3 O2 | | SMILES: | O=C(/C=C/c1cccnc1)NCCCCC2CCN(CC2)C(=O)c3ccccc3 | | InChi: | InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+ | | Synonyms: | FK-866 | | Definition date: | 2006-03-09 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide |
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 | | DGJ | | Name: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol | | Formula: | C6 H13 N O4 | | SMILES: | OC1C(NCC(O)C1O)CO | | InChi: | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1 | | Synonyms: | 1-deoxygalactonojirimycin | | Definition date: | 2011-07-01 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
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 | | DH7 | | Name: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene | | Formula: | C30 H46 | | SMILES: | C(=C(C)CCC=C(/C)CCC=C(/C)C)=CC=C=C(/C)CC/C=C(C)CCC=C(/C)C | | InChi: | InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-16,23-24H,11-14,19-22H2,1-8H3/b29-23+,30-24+ | | Synonyms: | dehydrosqualene | | Definition date: | 2010-07-07 | | Last modified: | 2021-03-01 | | Identifier: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene |
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 | | DIZ | | Name: | (4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID | | Formula: | C23 H15 Cl2 I N2 O4 | | SMILES: | Clc1ccc(cc1)C(C(=O)O)N3C(=O)c4cc(I)ccc4NC(=O)C3c2ccc(Cl)cc2 | | InChi: | InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1 | | Synonyms: | DI-CHLORO-BENZO-DIAZEPINE | | Definition date: | 2004-05-10 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-(4-chlorophenyl)[(3S)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl]ethanoic acid |
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 | | DJO | | Name: | (phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate | | Formula: | C17 H17 N O3 | | SMILES: | OC[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3 | | InChi: | InChI=1S/C17H17NO3/c19-11-15-10-14-8-4-5-9-16(14)18(15)17(20)21-12-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2/t15-/m0/s1 | | Synonyms: | Benzyl 2-(Hydroxymethyl)-1-Indolinecarboxylate | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-25 | | Identifier: | (phenylmethyl) (2~{S})-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate |
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 | | DJU | | Name: | N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine | | Formula: | C18 H20 N2 O | | SMILES: | CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 | | InChi: | InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3 | | Synonyms: | 5-Benzyloxygramine | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-25 | | Identifier: | ~{N},~{N}-dimethyl-1-(5-phenylmethoxy-1~{H}-indol-3-yl)methanamine |
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 | | DJX | | Name: | N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine | | Formula: | C19 H23 N7 S | | SMILES: | CCN1CCN(CC1)c2cc(Nc3sc(cn3)c4ccncc4)nc(C)n2 | | InChi: | InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24) | | Synonyms: | 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(5-(pyridin-4-yl)thiazol-2-yl)pyrimidin-4-amine | | Definition date: | 2019-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2019-11-27 | | Identifier: | ~{N}-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine |
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 | | FN1 | | Name: | 5-fluoronicotine | | Formula: | C10 H13 F N2 | | SMILES: | Fc1cncc(c1)C2CCCN2C | | InChi: | InChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1 | | Synonyms: | 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine | | Definition date: | 2015-05-28 | | Last modified: | 2021-03-01 | | Release date: | 2015-06-24 | | Identifier: | 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
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 | | FQC | | Name: | 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one | | Formula: | C16 H8 Cl2 F N5 O | | SMILES: | Fc1ccc2N=C(n3cncn3)N(C(=O)c2c1)c4ccc(Cl)cc4Cl | | InChi: | InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H | | Synonyms: | Fluquinconazole | | Definition date: | 2015-10-20 | | Last modified: | 2021-03-01 | | Release date: | 2016-02-10 | | Identifier: | 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one |
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 | | FR0 | | Name: | N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE | | Formula: | C16 H15 N7 S2 | | SMILES: | N(=C(/N)N)c4nc(c1sc(cc1)CNc2nc3ccccc3n2)cs4 | | InChi: | InChI=1S/C16H15N7S2/c17-14(18)23-16-22-12(8-24-16)13-6-5-9(25-13)7-19-15-20-10-3-1-2-4-11(10)21-15/h1-6,8H,7H2,(H2,19,20,21)(H4,17,18,22,23) | | Synonyms: | FR117016 | | Definition date: | 2002-12-13 | | Last modified: | 2021-03-01 | | Identifier: | 2-(4-{5-[(1H-benzimidazol-2-ylamino)methyl]thiophen-2-yl}-1,3-thiazol-2-yl)guanidine |
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 | | FR5 | | Name: | 1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | | Formula: | C27 H29 N7 O3 | | SMILES: | O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCc4nc5ccccc5n4C | | InChi: | InChI=1S/C27H29N7O3/c1-32-23-5-3-2-4-21(23)31-25(32)8-9-26(36)30-19-7-6-18-10-12-33(24(18)14-19)13-11-20(16-35)34-15-22(27(28)37)29-17-34/h2-7,10,12,14-15,17,20,35H,8-9,11,13,16H2,1H3,(H2,28,37)(H,30,36)/t20-/m1/s1 | | Synonyms: | FR235999 | | Definition date: | 2002-12-13 | | Last modified: | 2021-03-01 | | Identifier: | 1-[(1R)-1-(hydroxymethyl)-3-(6-{[3-(1-methyl-1H-benzimidazol-2-yl)propanoyl]amino}-1H-indol-1-yl)propyl]-1H-imidazole-4-carboxamide |
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