 | | DHT | | Name: | 5-ALPHA-DIHYDROTESTOSTERONE | | Formula: | C19 H30 O2 | | SMILES: | O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one |
|
 | | DHZ | | Name: | 3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE NUCLEOSIDE | | Formula: | C9 H14 N2 O5 | | SMILES: | O=C1NCC=CN1C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C9H14N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1,3,5-8,12-14H,2,4H2,(H,10,15)/t5-,6-,7-,8-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1-beta-D-ribofuranosyl-3,4-dihydropyrimidin-2(1H)-one |
|
 | | DI | | Name: | 2'-DEOXYINOSINE-5'-MONOPHOSPHATE | | Formula: | C10 H13 N4 O7 P | | SMILES: | O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)COP(=O)(O)O | | InChi: | InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 | | Definition date: | 2001-06-01 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-inosinic acid |
|
 | | DI9 | | Name: | DICYCLOPENTYL PHOSPHORAMIDATE | | Formula: | C10 H20 N O3 P | | SMILES: | O=P(OC1CCCC1)(OC2CCCC2)N | | InChi: | InChI=1S/C10H20NO3P/c11-15(12,13-9-5-1-2-6-9)14-10-7-3-4-8-10/h9-10H,1-8H2,(H2,11,12) | | Definition date: | 2006-06-09 | | Last modified: | 2011-06-04 | | Identifier: | dicyclopentyl amidophosphate |
|
 | | DID | | Name: | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | | Formula: | C20 H26 N4 O2 | | SMILES: | O(c1ccc(cc1)C(=[N@H])N)CCCCCCOc2ccc(C(=[N@H])N)cc2 | | InChi: | InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24) | | Definition date: | 2003-12-17 | | Last modified: | 2011-06-04 | | Identifier: | 4,4'-[hexane-1,6-diylbis(oxy)]dibenzenecarboximidamide |
|
 | | DIM | | Name: | DIIMIDAZOLE LEXITROPSIN | | Formula: | C14 H20 N9 O3 | | SMILES: | O=C(c2nc(NC(=O)c1nc(NC=O)cn1C)cn2C)NCCC(=[NH2+])N | | InChi: | InChI=1S/C14H19N9O3/c1-22-5-9(18-7-24)19-12(22)14(26)21-10-6-23(2)11(20-10)13(25)17-4-3-8(15)16/h5-7H,3-4H2,1-2H3,(H3,15,16)(H,17,25)(H,18,24)(H,21,26)/p+1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1-amino-3-({[4-({[4-(formylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)propan-1-iminium |
|
 | | DIQ | | Name: | 2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | | Formula: | C11 H19 N O2 | | SMILES: | O=C(O)C2N(CC1CCCCC1C2)C | | InChi: | InChI=1S/C11H19NO2/c1-12-7-9-5-3-2-4-8(9)6-10(12)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)/t8-,9+,10-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3S,4aS,8aS)-2-methyldecahydroisoquinoline-3-carboxylic acid |
|
 | | DIT | | Name: | DITERCALINIUM | | Formula: | C46 H50 N6 O2 | | SMILES: | O(c3cc4c2c1c[n+](ccc1ccc2nc4cc3)CCN%10CCC(C9CCN(CC[n+]8cc7c6c5cc(OC)ccc5nc6ccc7cc8)CC9)CC%10)C | | InChi: | InChI=1S/C46H48N6O2/c1-53-35-5-9-41-37(27-35)45-39-29-51(21-15-33(39)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-34-4-8-44-46(40(34)30-52)38-28-36(54-2)6-10-42(38)48-44/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3/p+2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2,2'-(4,4'-bipiperidine-1,1'-diyldiethane-2,1-diyl)bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium) |
|
 | | DJR | | Name: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE | | Formula: | C28 H38 N2 O8 S | | SMILES: | O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4 | | InChi: | InChI=1S/C28H38N2O8S/c1-19(2)16-30(39(33,34)22-11-9-21(35-3)10-12-22)17-25(31)24(15-20-7-5-4-6-8-20)29-28(32)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,31H,13-18H2,1-3H3,(H,29,32)/t23-,24-,25+,26-,27+/m0/s1 | | Definition date: | 2006-08-24 | | Last modified: | 2011-06-04 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate |
|
 | | DJZ | | Name: | 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile | | Formula: | C26 H29 N5 O3 S | | SMILES: | N#Cc4cc(c(Oc1nc(ncc1)NC3CCN(Cc2ccc(cc2)S(=O)(=O)C)CC3)c(c4)C)C | | InChi: | InChI=1S/C26H29N5O3S/c1-18-14-21(16-27)15-19(2)25(18)34-24-8-11-28-26(30-24)29-22-9-12-31(13-10-22)17-20-4-6-23(7-5-20)35(3,32)33/h4-8,11,14-15,22H,9-10,12-13,17H2,1-3H3,(H,28,29,30) | | Definition date: | 2010-03-19 | | Last modified: | 2011-06-04 | | Identifier: | 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile |
|
 | | DK2 | | Name: | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | | Formula: | C18 H13 N O7 | | SMILES: | O=C(O)C(N2C(=O)c1cc(ccc1C2=O)C(=O)O)Cc3ccc(O)cc3 | | InChi: | InChI=1S/C18H13NO7/c20-11-4-1-9(2-5-11)7-14(18(25)26)19-15(21)12-6-3-10(17(23)24)8-13(12)16(19)22/h1-6,8,14,20H,7H2,(H,23,24)(H,25,26)/t14-/m1/s1 | | Definition date: | 2007-05-10 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(1R)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
|
 | | DK5 | | Name: | 1-(2,3-dideoxy-3-fluoro-beta-D-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one | | Formula: | C17 H18 F N3 O5 | | SMILES: | OC[CH]1O[CH](C[CH](F)[CH]1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3 | | InChi: | InChI=1S/C17H18FN3O5/c18-11-8-14(26-12(9-22)15(11)23)21-7-6-13(20-17(21)25)19-16(24)10-4-2-1-3-5-10/h1-7,11-12,14-15,22-23H,8-9H2,(H,19,20,24,25)/t11-,12-,14-,15+/m1/s1 | | Definition date: | 2010-01-13 | | Last modified: | 2011-06-04 | | Identifier: | N-[1-[(2R,4R,5R,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-oxo-pyrimidin-4-yl]benzamide |
|
 | | DKD | | Name: | (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid | | Formula: | C23 H22 O3 | | SMILES: | O=C(O)C(Oc1ccc(cc1)CCc2ccccc2)Cc3ccccc3 | | InChi: | InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m0/s1 | | Definition date: | 2009-06-03 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-3-phenyl-2-[4-(2-phenylethyl)phenoxy]propanoic acid |
|
 | | DKK | | Name: | N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide | | Formula: | C19 H20 F3 N7 O2 | | SMILES: | FC(F)(c1ncccc1)CNc2ccc(C#N)c(c2F)CC(=O)NCCONC(=[N@H])N | | InChi: | InChI=1S/C19H20F3N7O2/c20-17-13(9-16(30)27-7-8-31-29-18(24)25)12(10-23)4-5-14(17)28-11-19(21,22)15-3-1-2-6-26-15/h1-6,28H,7-9,11H2,(H,27,30)(H4,24,25,29) | | Definition date: | 2008-01-25 | | Last modified: | 2011-06-04 | | Identifier: | N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide |
|
 | | DKT | | Name: | 4-[2-(3-BENZYLOXYCARBONYLAMINO-4-CYCLOHEXYL-1-HYDROXY-2-OXO-BUTYLAMINO)-5-GUANIDINO-PENTANOYLAMINO]-4-(1-CARBOXY-2-CYCLOHEXYL-ETHYLCARBAMOYL)-BUTYRIC ACID | | Formula: | C38 H57 N7 O10 | | SMILES: | O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(=O)C(NC(=O)OCc1ccccc1)CC2CCCCC2)CCCNC(=[N@H])N)CCC(=O)O)CC3CCCCC3 | | InChi: | InChI=1S/C38H57N7O10/c39-37(40)41-20-10-17-27(33(49)42-28(18-19-31(46)47)34(50)44-30(36(52)53)22-25-13-6-2-7-14-25)43-35(51)32(48)29(21-24-11-4-1-5-12-24)45-38(54)55-23-26-15-8-3-9-16-26/h3,8-9,15-16,24-25,27-30H,1-2,4-7,10-14,17-23H2,(H,42,49)(H,43,51)(H,44,50)(H,45,54)(H,46,47)(H,52,53)(H4,39,40,41)/t27-,28-,29+,30-/m0/s1 | | Definition date: | 2002-11-15 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-[(3R)-3-{[(benzyloxy)carbonyl]amino}-4-cyclohexyl-2-oxobutanoyl]-L-arginyl-L-alpha-glutamyl-3-cyclohexyl-L-alanine |
|
 | | DKY | | Name: | 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one | | Formula: | C17 H18 F N3 O6 | | SMILES: | OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3 | | InChi: | InChI=1S/C17H18FN3O6/c18-12-13(23)10(8-22)27-16(14(12)24)21-7-6-11(20-17(21)26)19-15(25)9-4-2-1-3-5-9/h1-7,10,12-14,16,22-24H,8H2,(H,19,20,25,26)/t10-,12+,13-,14-,16-/m1/s1 | | Definition date: | 2010-01-12 | | Last modified: | 2011-06-04 | | Identifier: | N-[1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-oxo-pyrimidin-4-yl]benzamide |
|
 | | DL4 | | Name: | (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid | | Formula: | C27 H42 O3 | | SMILES: | O=C(O)C(C)CCCC(C)C2CCC1C4C(CCC12C)C3(C(=CC(=O)CC3)CC4)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/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18-,21+,22-,23+,24+,26+,27-/m1/s1 | | Definition date: | 2009-04-06 | | Last modified: | 2011-06-04 | | Identifier: | (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid |
|
 | | DL7 | | Name: | (5beta,14beta,17alpha,25R)-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 | | Definition date: | 2009-04-06 | | Last modified: | 2011-06-04 | | Identifier: | (5beta,14beta,17alpha,25R)-3-oxocholest-7-en-26-oic acid |
|
 | | DL8 | | Name: | N-[(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE | | Formula: | C16 H20 N4 O6 | | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)Cn3nnc(c2ccccc2)c3 | | InChi: | InChI=1S/C16H20N4O6/c21-8-11-13(23)14(24)15(25)16(26-11)17-12(22)7-20-6-10(18-19-20)9-4-2-1-3-5-9/h1-6,11,13-16,21,23-25H,7-8H2,(H,17,22)/t11-,13-,14+,15-,16-/m1/s1 | | Definition date: | 2007-05-29 | | Last modified: | 2011-06-04 | | Identifier: | N-[(4-phenyl-1H-1,2,3-triazol-1-yl)acetyl]-beta-D-glucopyranosylamine |
|
 | | DLI | | Name: | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | | Formula: | C21 H19 F3 N4 O2 S | | SMILES: | O=S(=O)(c1cccc(c1)c2ncnc(c2)N4CC(c3cc(F)c(F)cc3F)C(N)C4)C | | InChi: | InChI=1S/C21H19F3N4O2S/c1-31(29,30)13-4-2-3-12(5-13)20-8-21(27-11-26-20)28-9-15(19(25)10-28)14-6-17(23)18(24)7-16(14)22/h2-8,11,15,19H,9-10,25H2,1H3/t15-,19+/m1/s1 | | Definition date: | 2006-12-19 | | Last modified: | 2011-06-04 | | Identifier: | (3R,4S)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine |
|
 | | DLL | | Name: | 5'-O-[HYDROXY(PHENYLACETYL)PHOSPHORYL]ADENOSINE | | Formula: | C18 H20 N5 O8 P | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)Cc4ccccc4)[CH](O)[CH]3O | | InChi: | InChI=1S/C18H20N5O8P/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)6-10-4-2-1-3-5-10/h1-5,8-9,11,14-15,18,25-26H,6-7H2,(H,27,28)(H2,19,20,21)/t11-,14-,15-,18-/m1/s1 | | Definition date: | 2010-12-15 | | Last modified: | 2011-06-04 | | Identifier: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] 2-phenylethanoate |
|
 | | DLN | | Name: | 3-{[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol | | Formula: | C16 H15 N5 O | | SMILES: | n1c(c3c(nc1)n(nc3C#Cc2cccc(O)c2)C(C)C)N | | InChi: | InChI=1S/C16H15N5O/c1-10(2)21-16-14(15(17)18-9-19-16)13(20-21)7-6-11-4-3-5-12(22)8-11/h3-5,8-10,22H,1-2H3,(H2,17,18,19) | | Definition date: | 2009-11-09 | | Last modified: | 2011-06-04 | | Identifier: | 3-{[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol |
|
 | | DM3 | | Name: | 6-DEOXYDAUNOMYCIN | | Formula: | C27 H29 N O9 | | SMILES: | O=C2c1cc5c(c(O)c1C(=O)c3c2cccc3OC)C(OC4OC(C(O)C(N)C4)C)CC(O)(C(=O)C)C5 | | InChi: | InChI=1S/C27H29NO9/c1-11-23(30)16(28)8-19(36-11)37-18-10-27(34,12(2)29)9-13-7-15-22(25(32)20(13)18)26(33)21-14(24(15)31)5-4-6-17(21)35-3/h4-7,11,16,18-19,23,30,32,34H,8-10,28H2,1-3H3/t11-,16-,18-,19-,23+,27-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S,3S)-3-acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside |
|
 | | DM4 | | Name: | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | | Formula: | C26 H27 N O10 | | SMILES: | O=C2c1cc5c(c(O)c1C(=O)c3c2cccc3O)C(OC4OC(C(O)C(N)C4)C)CC(O)(C(=O)CO)C5 | | InChi: | InChI=1S/C26H27NO10/c1-10-22(31)14(27)6-18(36-10)37-16-8-26(35,17(30)9-28)7-11-5-13-21(24(33)19(11)16)25(34)20-12(23(13)32)3-2-4-15(20)29/h2-5,10,14,16,18,22,28-29,31,33,35H,6-9,27H2,1H3/t10-,14-,16-,18-,22+,26-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S,3S)-3,10,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside |
|
 | | DM9 | | Name: | N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN | | Formula: | C31 H39 N O12 | | SMILES: | O=C(C)C5(O)CC(OC1OC(C(O)C(N(CCOC)CO)C1)C)c4c(O)c3c(O)c2c(OC)cccc2c(O)c3c(O)c4C5 | | InChi: | InChI=1S/C31H39NO12/c1-14-26(35)18(32(13-33)8-9-41-3)10-21(43-14)44-20-12-31(40,15(2)34)11-17-23(20)30(39)25-24(28(17)37)27(36)16-6-5-7-19(42-4)22(16)29(25)38/h5-7,14,18,20-21,26,33,35-40H,8-13H2,1-4H3/t14-,18-,20-,21-,26+,31-/m0/s1 | | Definition date: | 1999-07-30 | | Last modified: | 2011-06-04 | | Identifier: | (1S,3S)-3-acetyl-3,5,6,11,12-pentahydroxy-10-methoxy-1,2,3,4-tetrahydrotetracen-1-yl 2,3,6-trideoxy-3-[(hydroxymethyl)(2-methoxyethyl)amino]-alpha-L-lyxo-hexopyranoside |
|
