![OHT OHT](https://data.pdbj.org/pdbjplus/data/cc/svg/OHT.svg) | OHT | Name: | 4-HYDROXYTAMOXIFEN | Formula: | C26 H29 N O2 | SMILES: | O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(c3ccccc3)CC)CCN(C)C | InChi: | InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol |
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![TED TED](https://data.pdbj.org/pdbjplus/data/cc/svg/TED.svg) | TED | Name: | 5-[(1E)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate) | Formula: | C24 H35 N6 O16 P | SMILES: | O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)NCCNC(=O)C=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O | InChi: | InChI=1S/C24H35N6O16P/c31-15-7-19(46-16(15)13-45-47(42,43)44)30-8-14(23(40)27-24(30)41)1-2-17(32)25-3-4-26-18(33)9-28(10-20(34)35)5-6-29(11-21(36)37)12-22(38)39/h1-2,8,15-16,19,31H,3-7,9-13H2,(H,25,32)(H,26,33)(H,34,35)(H,36,37)(H,38,39)(H,27,40,41)(H2,42,43,44)/b2-1+/t15-,16+,19+/m0/s1 | Definition date: | 2010-07-22 | Last modified: | 2011-06-04 | Identifier: | 5-[(13E)-1-carboxy-2,5-bis(carboxymethyl)-7,12-dioxo-2,5,8,11-tetraazatetradec-13-en-14-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate) |
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![ZBA ZBA](https://data.pdbj.org/pdbjplus/data/cc/svg/ZBA.svg) | ZBA | Name: | 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate | Formula: | C24 H32 O9 | SMILES: | O=C(OC4C(=CC3OC2C1(OC1)C(C(OC(=O)C)C2O)(C)C3(COC(=O)C)C4)C)CC(=C)C | InChi: | InChI=1S/C24H32O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,16-17,19-21,28H,1,7,9-11H2,2-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1 | Definition date: | 2007-11-26 | Last modified: | 2011-06-04 | Identifier: | (3alpha,4alpha,8beta,11beta)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbut-3-enoate |
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![SZH SZH](https://data.pdbj.org/pdbjplus/data/cc/svg/SZH.svg) | SZH | Name: | (2S,6E)-8-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2S)-3,3,3-trifluoro-2-hydrazinopropanoate | Formula: | C13 H25 F3 N2 O9 P2 | SMILES: | C[CH](CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O)COC(=O)[CH](NN)C(F)(F)F | InChi: | InChI=1S/C13H25F3N2O9P2/c1-9(6-7-26-29(23,24)27-28(20,21)22)4-3-5-10(2)8-25-12(19)11(18-17)13(14,15)16/h6,10-11,18H,3-5,7-8,17H2,1-2H3,(H,23,24)(H2,20,21,22)/b9-6+/t10-,11?/m0/s1 | Definition date: | 2009-11-30 | Last modified: | 2011-06-04 | Identifier: | [(E,2S)-8-[hydroxy(phosphonooxy)phosphoryl]oxy-2,6-dimethyl-oct-6-enyl] 3,3,3-trifluoro-2-hydrazinyl-propanoate |
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![TT2 TT2](https://data.pdbj.org/pdbjplus/data/cc/svg/TT2.svg) | TT2 | Name: | (1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol | Formula: | C35 H52 O3 | SMILES: | OC6/C(=C)C(O)CC(=CC=C2C1CCC(C1(C)CCC2)C(/C=C/CC(O)C35CC4CC(CC(C3)C4)C5)C)C6 | InChi: | InChI=1S/C35H52O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h4,6,9-10,22,25-27,29-33,36-38H,2,5,7-8,11-21H2,1,3H3/b6-4+,28-10+/t22-,25-,26+,27-,29+,30-,31+,32+,33+,34+,35-/m0/s1 | Definition date: | 2008-05-13 | Last modified: | 2011-06-04 | Identifier: | (1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol |
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![TEM TEM](https://data.pdbj.org/pdbjplus/data/cc/svg/TEM.svg) | TEM | Name: | N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE | Formula: | C7 H11 N O3 | SMILES: | O=CC=CNCC(O)CC=O | InChi: | InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-5,7-8,11H,2,6H2/b3-1+/t7-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (3R)-3-hydroxy-4-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanal |
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![TES TES](https://data.pdbj.org/pdbjplus/data/cc/svg/TES.svg) | TES | Name: | TESTOSTERONE | Formula: | C19 H28 O2 | SMILES: | O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3)C)(C)CC4 | InChi: | InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (8alpha,10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one |
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![XCL XCL](https://data.pdbj.org/pdbjplus/data/cc/svg/XCL.svg) | XCL | Name: | [(1S,4R,6R)-6-HYDROXY-4-(CYTOSIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | Formula: | C11 H16 N3 O6 P | SMILES: | O=C1N=C(C=CN1C2C=CC(COP(=O)(O)O)C(O)C2)N | InChi: | InChI=1S/C11H16N3O6P/c12-10-3-4-14(11(16)13-10)8-2-1-7(9(15)5-8)6-20-21(17,18)19/h1-4,7-9,15H,5-6H2,(H2,12,13,16)(H2,17,18,19)/t7-,8-,9+/m0/s1 | Definition date: | 2006-05-19 | Last modified: | 2011-06-04 | Identifier: | [(1S,4R,6R)-4-(4-amino-2-oxopyrimidin-1(2H)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate |
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![XTL XTL](https://data.pdbj.org/pdbjplus/data/cc/svg/XTL.svg) | XTL | Name: | [(1S,4R,6R)-6-HYDROXY-4-(THYMIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | Formula: | C12 H17 N2 O7 P | SMILES: | O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O | InChi: | InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m0/s1 | Definition date: | 2006-05-19 | Last modified: | 2011-06-04 | Identifier: | [(1S,4R,6R)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate |
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![XTR XTR](https://data.pdbj.org/pdbjplus/data/cc/svg/XTR.svg) | XTR | Name: | [(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate | Formula: | C12 H17 N2 O7 P | SMILES: | O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O | InChi: | InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m1/s1 | Definition date: | 2009-01-05 | Last modified: | 2011-06-04 | Identifier: | [(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate |
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![NQI NQI](https://data.pdbj.org/pdbjplus/data/cc/svg/NQI.svg) | NQI | Name: | N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE | Formula: | C28 H40 N8 O7 | SMILES: | O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CC=C | InChi: | InChI=1S/C28H40N8O7/c1-3-8-19(35-27(42)22(37)14-23(38)43-4-2)25(40)34-20(11-7-12-32-28(30)31)26(41)36-21(24(29)39)13-16-15-33-18-10-6-5-9-17(16)18/h3,5-6,9-10,15,19-22,33,37H,1,4,7-8,11-14H2,2H3,(H2,29,39)(H,34,40)(H,35,42)(H,36,41)(H4,30,31,32)/t19-,20-,21-,22+/m0/s1 | Definition date: | 2006-11-09 | Last modified: | 2011-06-04 | Identifier: | N~2~-[(2S)-2-{[(2R)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-L-arginyl-L-tryptophanamide |
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![QO9 QO9](https://data.pdbj.org/pdbjplus/data/cc/svg/QO9.svg) | QO9 | Name: | 1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione | Formula: | C24 H43 N3 O8 S Si2 | SMILES: | O=C1C(=CN(C(=O)N1)C3OC(C2(OS(=O)(=O)C=C2N)C3O[Si](C(C)(C)C)(C)C)CO[Si](C(C)(C)C)(C)C)C | InChi: | InChI=1S/C24H43N3O8SSi2/c1-15-12-27(21(29)26-19(15)28)20-18(34-38(10,11)23(5,6)7)24(16(25)14-36(30,31)35-24)17(33-20)13-32-37(8,9)22(2,3)4/h12,14,17-18,20H,13,25H2,1-11H3,(H,26,28,29)/t17-,18+,20-,24-/m1/s1 | Definition date: | 2011-02-15 | Last modified: | 2011-06-04 | Identifier: | 1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione |
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![SA6 SA6](https://data.pdbj.org/pdbjplus/data/cc/svg/SA6.svg) | SA6 | Name: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde | Formula: | C15 H23 N O4 | SMILES: | O=CC1(NC(=O)C(C1(O)C)CC)C(O)C2C=CCCC2 | InChi: | InChI=1S/C15H23NO4/c1-3-11-13(19)16-15(9-17,14(11,2)20)12(18)10-7-5-4-6-8-10/h5,7,9-12,18,20H,3-4,6,8H2,1-2H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1 | Definition date: | 2010-04-20 | Last modified: | 2011-06-04 | Identifier: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde |
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![MYP MYP](https://data.pdbj.org/pdbjplus/data/cc/svg/MYP.svg) | MYP | Name: | 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE | Formula: | C31 H42 N4 O5 S | SMILES: | O=S(=O)(c1ccccc1)/C=C/C(NC(=O)C(NC(=O)N3CCC(N2CCOCC2)CC3)Cc4ccccc4)CCC | InChi: | InChI=1S/C31H42N4O5S/c1-2-9-26(16-23-41(38,39)28-12-7-4-8-13-28)32-30(36)29(24-25-10-5-3-6-11-25)33-31(37)35-17-14-27(15-18-35)34-19-21-40-22-20-34/h3-8,10-13,16,23,26-27,29H,2,9,14-15,17-22,24H2,1H3,(H,32,36)(H,33,37)/t26-,29-/m0/s1 | Definition date: | 2002-10-07 | Last modified: | 2011-06-04 | Identifier: | Nalpha-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}-L-phenylalaninamide |
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![KIQ KIQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KIQ.svg) | KIQ | Name: | (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE | Formula: | C19 H17 F6 N5 O | SMILES: | Fc1cc(c(F)cc1F)C2C(N)CC(=CC2)C(=O)N4Cc3nnc(n3CC4)C(F)(F)F | InChi: | InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/t10-,15+/m1/s1 | Definition date: | 2006-09-05 | Last modified: | 2011-06-04 | Identifier: | (1S,6R)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine |
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![R46 R46](https://data.pdbj.org/pdbjplus/data/cc/svg/R46.svg) | R46 | Name: | N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-3-YL)PHENOXY]HEXYL}-N-METHYL-2-PROPEN-1-AMINE | Formula: | C23 H27 Br N2 O S | SMILES: | Brc3ccc1c(snc1c2ccc(OCCCCCCN(CC=C)C)cc2)c3 | InChi: | InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3 | Definition date: | 2002-08-25 | Last modified: | 2011-06-04 | Identifier: | 6-[4-(6-bromo-1,2-benzisothiazol-3-yl)phenoxy]-N-methyl-N-prop-2-en-1-ylhexan-1-amine |
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![R79 R79](https://data.pdbj.org/pdbjplus/data/cc/svg/R79.svg) | R79 | Name: | N-(6-{[3-(4-BROMOPHENYL)-1,2-BENZISOTHIAZOL-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE | Formula: | C23 H27 Br N2 O S | SMILES: | Brc3ccc(c2nsc1cc(OCCCCCCN(CC=C)C)ccc12)cc3 | InChi: | InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3 | Definition date: | 2002-08-25 | Last modified: | 2011-06-04 | Identifier: | 6-{[3-(4-bromophenyl)-1,2-benzisothiazol-6-yl]oxy}-N-methyl-N-prop-2-en-1-ylhexan-1-amine |
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![R88 R88](https://data.pdbj.org/pdbjplus/data/cc/svg/R88.svg) | R88 | Name: | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE | Formula: | C21 H22 Br N O2 | SMILES: | Brc1ccc(cc1)C(=O)c3ccc(OC/C=C/CN(C)C2CC2)cc3 | InChi: | InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+ | Definition date: | 2002-08-24 | Last modified: | 2011-06-04 | Identifier: | (4-bromophenyl)[4-({(2E)-4-[cyclopropyl(methyl)amino]but-2-en-1-yl}oxy)phenyl]methanone |
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![KN1 KN1](https://data.pdbj.org/pdbjplus/data/cc/svg/KN1.svg) | KN1 | Name: | 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol | Formula: | C17 H13 F3 N2 O2 | SMILES: | FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CC=C | InChi: | InChI=1S/C17H13F3N2O2/c1-2-8-22-16-12(4-3-5-13(16)17(18,19)20)15(21-22)11-7-6-10(23)9-14(11)24/h2-7,9,23-24H,1,8H2 | Definition date: | 2007-09-24 | Last modified: | 2011-06-04 | Identifier: | 4-[1-prop-2-en-1-yl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol |
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![RM2 RM2](https://data.pdbj.org/pdbjplus/data/cc/svg/RM2.svg) | RM2 | Name: | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | Formula: | C12 H13 N O | SMILES: | Oc1cccc2c1CCC2/N=C/C=C | InChi: | InChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h2-5,8,11,14H,1,6-7H2/b13-8+/t11-/m1/s1 | Definition date: | 2005-11-07 | Last modified: | 2011-06-04 | Identifier: | (1R)-1-[(1E)-prop-2-en-1-ylideneamino]-2,3-dihydro-1H-inden-4-ol |
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![KN3 KN3](https://data.pdbj.org/pdbjplus/data/cc/svg/KN3.svg) | KN3 | Name: | 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol | Formula: | C19 H17 F3 N2 O2 | SMILES: | FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)C/C=C(/C)C | InChi: | InChI=1S/C19H17F3N2O2/c1-11(2)8-9-24-18-14(4-3-5-15(18)19(20,21)22)17(23-24)13-7-6-12(25)10-16(13)26/h3-8,10,25-26H,9H2,1-2H3 | Definition date: | 2010-09-09 | Last modified: | 2011-06-04 | Identifier: | 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol |
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![SG3 SG3](https://data.pdbj.org/pdbjplus/data/cc/svg/SG3.svg) | SG3 | Name: | [(1E,3R,4S)-4-FLUORO-3,5-DIHYDROXY-4-METHYLPENT-1-EN-1-YL]PHOSPHONIC ACID | Formula: | C6 H12 F O5 P | SMILES: | O=P(O)(O)/C=C/C(O)C(F)(C)CO | InChi: | InChI=1S/C6H12FO5P/c1-6(7,4-8)5(9)2-3-13(10,11)12/h2-3,5,8-9H,4H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1 | Definition date: | 2007-06-11 | Last modified: | 2011-06-04 | Identifier: | [(1E,3R,4S)-4-fluoro-3,5-dihydroxy-4-methylpent-1-en-1-yl]phosphonic acid |
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![SIH SIH](https://data.pdbj.org/pdbjplus/data/cc/svg/SIH.svg) | SIH | Name: | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | Formula: | C25 H34 O6 | SMILES: | O=C(O)CCC(=O)OC3CC4(C(C2C3C1(C(=CC(=O)CC1)CC2)C)CCC4C(=O)C)C | InChi: | InChI=1S/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20+,23+,24-,25+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 4-{[(8alpha,11beta,14beta,17alpha)-3,20-dioxopregn-4-en-11-yl]oxy}-4-oxobutanoic acid |
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![SII SII](https://data.pdbj.org/pdbjplus/data/cc/svg/SII.svg) | SII | Name: | N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide | Formula: | C28 H34 F N5 O2 | SMILES: | Fc5cccc(N2C(=O)N=C(NC1CCCCC1)C23CCN(CC3)Cc4ccc(NC(=O)C)cc4)c5 | InChi: | InChI=1S/C28H34FN5O2/c1-20(35)30-24-12-10-21(11-13-24)19-33-16-14-28(15-17-33)26(31-23-7-3-2-4-8-23)32-27(36)34(28)25-9-5-6-22(29)18-25/h5-6,9-13,18,23H,2-4,7-8,14-17,19H2,1H3,(H,30,35)(H,31,32,36) | Definition date: | 2008-08-15 | Last modified: | 2011-06-04 | Identifier: | N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide |
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![KRJ KRJ](https://data.pdbj.org/pdbjplus/data/cc/svg/KRJ.svg) | KRJ | Name: | 4-cyano-N-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1H-imidazole-2-carboxamide | Formula: | C22 H25 N5 O | SMILES: | O=C(Nc1ccc(cc1C2=CCCCC2)C3CCNCC3)c4[nH]cc(n4)C#N | InChi: | InChI=1S/C22H25N5O/c23-13-18-14-25-21(26-18)22(28)27-20-7-6-17(15-8-10-24-11-9-15)12-19(20)16-4-2-1-3-5-16/h4,6-7,12,14-15,24H,1-3,5,8-11H2,(H,25,26)(H,27,28) | Definition date: | 2009-11-25 | Last modified: | 2011-06-04 | Identifier: | 4-cyano-N-(2-cyclohexen-1-yl-4-piperidin-4-yl-phenyl)-1H-imidazole-2-carboxamide |
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