![87X 87X](https://data.pdbj.org/pdbjplus/data/cc/svg/87X.svg) | 87X | Name: | 5-cyclohexylpentanoic acid | Formula: | C11 H20 O2 | SMILES: | OC(=O)CCCCC1CCCCC1 | InChi: | InChI=1S/C11H20O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13) | Synonyms: | Cyclohexane-valeric acid | Definition date: | 2017-05-16 | Last modified: | 2020-06-17 | Release date: | 2017-12-06 | Identifier: | 5-cyclohexylpentanoic acid |
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![I03 I03](https://data.pdbj.org/pdbjplus/data/cc/svg/I03.svg) | I03 | Name: | (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL
3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE | Formula: | C28 H32 F N3 O6 S | SMILES: | O=S(=O)(N(c1cc(cc(c1)C(=O)OCC(N)(Cc2ccccc2)CO)C(=O)NC(c3ccc(F)cc3)C)C)C | InChi: | InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-26(34)22-13-23(15-25(14-22)32(2)39(3,36)37)27(35)38-18-28(30,17-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28+/m1/s1 | Synonyms: | N-[1-BENZYL-2-HYDROXY-1-(HYDROXYMETHYL)ETHYL]-N'-{[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[N-METHYL-N-(METHYLSULFONYL)AMINO]}I
SOPHTHALIMIDE | Definition date: | 2006-10-25 | Last modified: | 2020-06-17 | Identifier: | (2S)-2-amino-2-benzyl-3-hydroxypropyl 3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoate |
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![893 893](https://data.pdbj.org/pdbjplus/data/cc/svg/893.svg) | 893 | Name: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE | Formula: | C18 H19 N3 O4 | SMILES: | O=C(c1nc(OCC)c(C#N)cc1)NCc2cc(OC)ccc2OC | InChi: | InChI=1S/C18H19N3O4/c1-4-25-18-12(10-19)5-7-15(21-18)17(22)20-11-13-9-14(23-2)6-8-16(13)24-3/h5-9H,4,11H2,1-3H3,(H,20,22) | Synonyms: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPICOLINAMIDE | Definition date: | 2006-06-09 | Last modified: | 2020-06-17 | Identifier: | 5-cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide |
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![I1P I1P](https://data.pdbj.org/pdbjplus/data/cc/svg/I1P.svg) | I1P | Name: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | Formula: | C21 H24 N8 O2 S | SMILES: | O=S(=O)(NCCCN(C)C)c1ccc(cc1)Nc2nccc(n2)c3cnc4cccnn34 | InChi: | InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27) | Synonyms: | N-[3-(DIMETHYLAMINO)PROPYL]-4-[(4-IMIDAZO[1,2-B]PYRIDAZIN-3-YL-2-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | Definition date: | 2003-11-11 | Last modified: | 2020-06-17 | Identifier: | N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide |
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![8A7 8A7](https://data.pdbj.org/pdbjplus/data/cc/svg/8A7.svg) | 8A7 | Name: | (5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione | Formula: | C24 H20 N2 O4 S2 | SMILES: | c5ccc(c4oc(C)c(CCOc2ccc(c1c2ccs1)CC3SC(=O)NC3=O)n4)cc5 | InChi: | InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28) | Synonyms: | Edaglitazone | Definition date: | 2017-01-16 | Last modified: | 2020-06-17 | Release date: | 2018-01-17 | Identifier: | (5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione |
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![8AC 8AC](https://data.pdbj.org/pdbjplus/data/cc/svg/8AC.svg) | 8AC | Name: | 8-aminooctanoic acid | Formula: | C8 H17 N O2 | SMILES: | O=C(O)CCCCCCCN | InChi: | InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11) | Synonyms: | 8-aminocaprylic acid | Definition date: | 2010-04-19 | Last modified: | 2020-06-17 | Identifier: | 8-aminooctanoic acid |
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![8AJ 8AJ](https://data.pdbj.org/pdbjplus/data/cc/svg/8AJ.svg) | 8AJ | Name: | 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine | Formula: | C20 H19 Cl N4 | SMILES: | c4c(Cl)cc1c(n3c(cc1c2ccccc2)nnc3CCN(C)C)c4 | InChi: | InChI=1S/C20H19ClN4/c1-24(2)11-10-19-22-23-20-13-16(14-6-4-3-5-7-14)17-12-15(21)8-9-18(17)25(19)20/h3-9,12-13H,10-11H2,1-2H3 | Synonyms: | PF-02929366 | Definition date: | 2017-01-16 | Last modified: | 2020-06-17 | Release date: | 2017-05-17 | Identifier: | 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine |
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![8AO 8AO](https://data.pdbj.org/pdbjplus/data/cc/svg/8AO.svg) | 8AO | Name: | (4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2
,3-c]pyrazole-5-carbonitrile | Formula: | C31 H27 F3 N4 O3 S | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)Cc4ccccc4)C(=C(N)Oc5n[nH]c(C)c15)C#N | InChi: | InChI=1S/C31H27F3N4O3S/c1-18(2)30(26(16-35)28(36)41-29-27(30)19(3)37-38-29)23-13-22(14-24(15-23)31(32,33)34)21-9-11-25(12-10-21)42(39,40)17-20-7-5-4-6-8-20/h4-15,18H,17,36H2,1-3H3,(H,37,38)/t30-/m0/s1 | Synonyms: | (S)-6-amino-4-(4'-(benzylsulfonyl)-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3
-c]pyrazole-5-carbonitrile | Definition date: | 2017-05-25 | Last modified: | 2020-06-17 | Release date: | 2017-11-29 | Identifier: | (4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile |
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![8AU 8AU](https://data.pdbj.org/pdbjplus/data/cc/svg/8AU.svg) | 8AU | Name: | (4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-
carbonitrile | Formula: | C24 H20 Cl F3 N4 O | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3Cl)C(=C(N)Oc4n[nH]c(C)c14)C#N | InChi: | InChI=1S/C24H20ClF3N4O/c1-12(2)23(18(11-29)21(30)33-22-20(23)13(3)31-32-22)15-8-14(9-16(10-15)24(26,27)28)17-6-4-5-7-19(17)25/h4-10,12H,30H2,1-3H3,(H,31,32)/t23-/m0/s1 | Synonyms: | (S)-6-amino-4-(2'-chloro-5-(trifluoromethyl)-[1,1-biphenyl]-3-yl)-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole
-5-carbonitrile | Definition date: | 2017-05-25 | Last modified: | 2020-06-17 | Release date: | 2017-11-29 | Identifier: | (4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile |
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![I32 I32](https://data.pdbj.org/pdbjplus/data/cc/svg/I32.svg) | I32 | Name: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile | Formula: | C16 H20 I N3 O2 | SMILES: | Ic2c1c(cccc1OCC(O)CNC(C)(C)C)nc2C#N | InChi: | InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3/t10-/m0/s1 | Synonyms: | IODOCYANOPINDOLOL | Definition date: | 2011-03-17 | Last modified: | 2020-06-17 | Identifier: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile |
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![8BF 8BF](https://data.pdbj.org/pdbjplus/data/cc/svg/8BF.svg) | 8BF | Name: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{
a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol | Formula: | C31 H44 O4 | SMILES: | C[CH](CCC[CH](O)c1ccc(O)cc1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4 | InChi: | InChI=1S/C31H44O4/c1-20(6-4-8-28(33)24-11-13-25(32)14-12-24)26-15-16-27-23(7-5-17-31(26,27)3)10-9-22-18-29(34)21(2)30(35)19-22/h9-14,20,26-30,32-35H,2,4-8,15-19H2,1,3H3/b23-10+/t20-,26-,27+,28-,29-,30-,31-/m1/s1 | Synonyms: | 25RS-(Hydroxyphenyl)-2-methylidene-19,26,27-trinor-1,25-dihydroxyvitamin D3 | Definition date: | 2017-06-07 | Last modified: | 2020-06-17 | Release date: | 2018-06-06 | Identifier: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol |
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![8BJ 8BJ](https://data.pdbj.org/pdbjplus/data/cc/svg/8BJ.svg) | 8BJ | Name: | (2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol | Formula: | C9 H16 N2 O4 S | SMILES: | C2(CO)C(O)C(C1NC(/SC1O2)=N/CC)O | InChi: | InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1 | Synonyms: | Thiamet G | Definition date: | 2017-01-17 | Last modified: | 2020-06-17 | Release date: | 2017-03-29 | Identifier: | (2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol |
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![8BL 8BL](https://data.pdbj.org/pdbjplus/data/cc/svg/8BL.svg) | 8BL | Name: | (5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl
idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one | Formula: | C31 H42 O4 | SMILES: | C[CH](CCCC(=O)c1ccc(O)cc1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4 | InChi: | InChI=1S/C31H42O4/c1-20(6-4-8-28(33)24-11-13-25(32)14-12-24)26-15-16-27-23(7-5-17-31(26,27)3)10-9-22-18-29(34)21(2)30(35)19-22/h9-14,20,26-27,29-30,32,34-35H,2,4-8,15-19H2,1,3H3/b23-10+/t20-,26-,27+,29-,30-,31-/m1/s1 | Synonyms: | 25-(hydroxyphenyl)-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | Definition date: | 2017-06-07 | Last modified: | 2020-06-17 | Release date: | 2018-06-06 | Identifier: | (5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one |
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![8BM 8BM](https://data.pdbj.org/pdbjplus/data/cc/svg/8BM.svg) | 8BM | Name: | 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | Formula: | C25 H35 N9 O | SMILES: | C1CC(CN1C(C)=O)Nc5nc(Nc3ccc(N2CCN(C)CC2)cc3)c4ncn(c4n5)C(C)C | InChi: | InChI=1S/C25H35N9O/c1-17(2)34-16-26-22-23(27-19-5-7-21(8-6-19)32-13-11-31(4)12-14-32)29-25(30-24(22)34)28-20-9-10-33(15-20)18(3)35/h5-8,16-17,20H,9-15H2,1-4H3,(H2,27,28,29,30)/t20-/m0/s1 | Synonyms: | 1-[(3S)-3-{[6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]amino}pyrrolidin-1-yl]ethan-1-one | Definition date: | 2017-01-17 | Last modified: | 2020-06-17 | Release date: | 2017-03-22 | Identifier: | 1-[(3S)-3-{[6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]amino}pyrrolidin-1-yl]ethan-1-one |
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![8C9 8C9](https://data.pdbj.org/pdbjplus/data/cc/svg/8C9.svg) | 8C9 | Name: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl
)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one | Formula: | C35 H50 O4 | SMILES: | CCCC[CH](CCC(=O)c1ccc(O)cc1)[CH](C)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C(=C)[CH](O)C4 | InChi: | InChI=1S/C35H50O4/c1-5-6-8-26(14-19-32(37)28-12-15-29(36)16-13-28)23(2)30-17-18-31-27(9-7-20-35(30,31)4)11-10-25-21-33(38)24(3)34(39)22-25/h10-13,15-16,23,26,30-31,33-34,36,38-39H,3,5-9,14,17-22H2,1-2,4H3/b27-11+/t23-,26+,30-,31+,33-,34-,35-/m1/s1 | Synonyms: | 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | Definition date: | 2017-06-07 | Last modified: | 2020-06-17 | Release date: | 2018-06-06 | Identifier: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one |
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![I59 I59](https://data.pdbj.org/pdbjplus/data/cc/svg/I59.svg) | I59 | Name: | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | Formula: | C11 H11 O4 P | SMILES: | O=P(O)(O)C(O)c2cccc1ccccc12 | InChi: | InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1 | Synonyms: | DPI59 | Definition date: | 2003-06-20 | Last modified: | 2020-06-17 | Identifier: | [(S)-hydroxy(naphthalen-1-yl)methyl]phosphonic acid |
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![1O2 1O2](https://data.pdbj.org/pdbjplus/data/cc/svg/1O2.svg) | 1O2 | Name: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate | Formula: | C43 H80 O10 | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCC=C/CCCCCCCC | InChi: | InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-44,47-49H,3-16,19-35H2,1-2H3/b18-17-/t36-,37-,40+,41+,42-,43+/m1/s1 | Synonyms: | 1-oleoyl,2-palmitoyl-3-O(alpha-D-galactopyranosyl)-sn-glycerol | Definition date: | 2009-08-10 | Last modified: | 2020-06-17 | Identifier: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate |
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![1ON 1ON](https://data.pdbj.org/pdbjplus/data/cc/svg/1ON.svg) | 1ON | Name: | 2,3-dihydro-1H-inden-1-one | Formula: | C9 H8 O | SMILES: | O=C2c1ccccc1CC2 | InChi: | InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2 | Synonyms: | 1-indanone | Definition date: | 2012-10-22 | Last modified: | 2020-06-17 | Release date: | 2013-10-30 | Identifier: | 2,3-dihydro-1H-inden-1-one |
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![I7P I7P](https://data.pdbj.org/pdbjplus/data/cc/svg/I7P.svg) | I7P | Name: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate | Formula: | C6 H19 O27 P7 | SMILES: | O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O | InChi: | InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+ | Synonyms: | 1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate | Definition date: | 2011-08-08 | Last modified: | 2020-06-17 | Identifier: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
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![1PB 1PB](https://data.pdbj.org/pdbjplus/data/cc/svg/1PB.svg) | 1PB | Name: | 1,4-DIPHENYL-2-BUTENE | Formula: | C16 H16 | SMILES: | C(=C/c1ccccc1)CCc2ccccc2 | InChi: | InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+ | Synonyms: | [(1E)-4-PHENYLBUT-1-ENYL]BENZENE | Definition date: | 2003-07-08 | Last modified: | 2020-06-17 | Identifier: | 1,1'-(1E)-but-1-ene-1,4-diyldibenzene |
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![1PC 1PC](https://data.pdbj.org/pdbjplus/data/cc/svg/1PC.svg) | 1PC | Name: | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | Formula: | C17 H25 N | SMILES: | c1ccccc1C3(N2CCCCC2)CCCCC3 | InChi: | InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2 | Synonyms: | PHENCYCLIDINE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 1-(1-phenylcyclohexyl)piperidine |
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![1PD 1PD](https://data.pdbj.org/pdbjplus/data/cc/svg/1PD.svg) | 1PD | Name: | 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia
diazin-7-yl}oxy)acetamide | Formula: | C21 H22 N6 O6 S2 | SMILES: | O=C4N(N=C(c1scnc1)C(O)=C4C3=Nc2c(cc(OCC(=O)N)cc2)S(=O)(=O)N3)CCC(C)C | InChi: | InChI=1S/C21H22N6O6S2/c1-11(2)5-6-27-21(30)17(19(29)18(25-27)14-8-23-10-34-14)20-24-13-4-3-12(33-9-16(22)28)7-15(13)35(31,32)26-20/h3-4,7-8,10-11,29H,5-6,9H2,1-2H3,(H2,22,28)(H,24,26) | Synonyms: | 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxo-2H-1,2,4-benzothiadi
azin-7-yl}oxy)acetamide | Definition date: | 2008-01-11 | Last modified: | 2020-06-17 | Identifier: | 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide |
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![1PT 1PT](https://data.pdbj.org/pdbjplus/data/cc/svg/1PT.svg) | 1PT | Name: | CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) | Formula: | C6 H14 N2 Pt | SMILES: | [Pt+2]1NC2C(N1)CCCC2 | InChi: | InChI=1S/C6H14N2.Pt/c7-5-3-1-2-4-6(5)8 | Synonyms: | OXALIPLATIN | Definition date: | 2003-06-03 | Last modified: | 2020-06-17 | Identifier: | (cyclohexane-1,2-diamine-kappa~2~N,N')platinum(2+) |
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![I8P I8P](https://data.pdbj.org/pdbjplus/data/cc/svg/I8P.svg) | I8P | Name: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] | Formula: | C6 H20 O30 P8 | SMILES: | O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O | InChi: | InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m1/s1 | Synonyms: | 1D-myo-inositol 1,5-bisdiphosphate 2,3,4,6-tetrakisphosphate | Definition date: | 2011-08-08 | Last modified: | 2020-06-17 | Identifier: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] |
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![1RB 1RB](https://data.pdbj.org/pdbjplus/data/cc/svg/1RB.svg) | 1RB | Name: | 1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-5'-PHOSPHATE | Formula: | C12 H15 N2 O7 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1ccccc12)C(O)C3O | InChi: | InChI=1S/C12H15N2O7P/c15-10-9(5-20-22(17,18)19)21-12(11(10)16)14-6-13-7-3-1-2-4-8(7)14/h1-4,6,9-12,15-16H,5H2,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1 | Synonyms: | ALPHA-RIBAZOLE-5'-PHOSPHATE DERIVATIVE | Definition date: | 2002-03-19 | Last modified: | 2020-06-17 | Identifier: | 1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole |
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