![2AV 2AV](https://data.pdbj.org/pdbjplus/data/cc/svg/2AV.svg) | 2AV | Name: | [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) | Formula: | C46 H54 N4 O3 S2 Si2 | SMILES: | O=C(N2CCC(c1cccc(c1)CN)CC2)c4sc3cccc(c3c4)[Si](O[Si](c5cccc6sc(cc56)C(=O)N8CCC(c7cccc(c7)CN)CC8)(C)C)(C)C | InChi: | InChI=1S/C46H54N4O3S2Si2/c1-56(2,43-15-7-13-39-37(43)27-41(54-39)45(51)49-21-17-33(18-22-49)35-11-5-9-31(25-35)29-47)53-57(3,4)44-16-8-14-40-38(44)28-42(55-40)46(52)50-23-19-34(20-24-50)36-12-6-10-32(26-36)30-48/h5-16,25-28,33-34H,17-24,29-30,47-48H2,1-4H3 | Definition date: | 2013-09-16 | Last modified: | 2015-03-13 | Release date: | 2015-03-18 | Identifier: | [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) |
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![IL5 IL5](https://data.pdbj.org/pdbjplus/data/cc/svg/IL5.svg) | IL5 | Name: | 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide | Formula: | C7 H6 N2 O5 S2 | SMILES: | O=S(=O)(c1ccc2c(c1)S(=O)(=O)NC2=O)N | InChi: | InChI=1S/C7H6N2O5S2/c8-15(11,12)4-1-2-5-6(3-4)16(13,14)9-7(5)10/h1-3H,(H,9,10)(H2,8,11,12) | Definition date: | 2014-12-22 | Last modified: | 2015-03-13 | Release date: | 2015-03-18 | Identifier: | 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide |
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![DE2 DE2](https://data.pdbj.org/pdbjplus/data/cc/svg/DE2.svg) | DE2 | Name: | 1-deoxy-L-erythrulose | Formula: | C4 H8 O3 | SMILES: | O=C(C)C(O)CO | InChi: | InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h4-5,7H,2H2,1H3/t4-/m0/s1 | Definition date: | 2014-09-22 | Last modified: | 2015-03-13 | Release date: | 2015-03-18 | Identifier: | (3S)-3,4-dihydroxybutan-2-one |
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![JH5 JH5](https://data.pdbj.org/pdbjplus/data/cc/svg/JH5.svg) | JH5 | Name: | 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium | Formula: | C16 H17 N4 | SMILES: | n1c[n+](cn1Cc2ccccc2)NCc3ccccc3 | InChi: | InChI=1S/C16H17N4/c1-3-7-15(8-4-1)11-17-20-13-18-19(14-20)12-16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2/q+1 | Definition date: | 2015-01-26 | Last modified: | 2015-03-13 | Release date: | 2015-03-18 | Identifier: | 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium |
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![5MH 5MH](https://data.pdbj.org/pdbjplus/data/cc/svg/5MH.svg) | 5MH | Name: | 1-hydroxy-5-methylpyridine-2(1H)-thione | Formula: | C6 H7 N O S | SMILES: | S=C1C=CC(=CN1O)C | InChi: | InChI=1S/C6H7NOS/c1-5-2-3-6(9)7(8)4-5/h2-4,8H,1H3 | Definition date: | 2014-04-29 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 1-hydroxy-5-methylpyridine-2(1H)-thione |
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![ZNN ZNN](https://data.pdbj.org/pdbjplus/data/cc/svg/ZNN.svg) | ZNN | Name: | N-(4-aminobutyl)-2-azidoacetamide | Formula: | C6 H13 N5 O | SMILES: | [N-]=[N+]=NCC(=O)NCCCCN | InChi: | InChI=1S/C6H13N5O/c7-3-1-2-4-9-6(12)5-10-11-8/h1-5,7H2,(H,9,12) | Definition date: | 2013-10-09 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | N-(4-aminobutyl)-2-azidoacetamide |
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![2YU 2YU](https://data.pdbj.org/pdbjplus/data/cc/svg/2YU.svg) | 2YU | Name: | 1-hydroxy-4-methylpyridine-2(1H)-thione | Formula: | C6 H7 N O S | SMILES: | S=C1C=C(C=CN1O)C | InChi: | InChI=1S/C6H7NOS/c1-5-2-3-7(8)6(9)4-5/h2-4,8H,1H3 | Definition date: | 2014-04-29 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 1-hydroxy-4-methylpyridine-2(1H)-thione |
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![M3T M3T](https://data.pdbj.org/pdbjplus/data/cc/svg/M3T.svg) | M3T | Name: | 3-methylbenzenethiol | Formula: | C7 H8 S | SMILES: | Sc1cc(ccc1)C | InChi: | InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 | Definition date: | 2014-05-05 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 3-methylbenzenethiol |
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![7FH 7FH](https://data.pdbj.org/pdbjplus/data/cc/svg/7FH.svg) | 7FH | Name: | 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione | Formula: | C6 H4 F3 N O S | SMILES: | S=C1C=CC(=CN1O)C(F)(F)F | InChi: | InChI=1S/C6H4F3NOS/c7-6(8,9)4-1-2-5(12)10(11)3-4/h1-3,11H | Definition date: | 2014-04-29 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione |
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![3LX 3LX](https://data.pdbj.org/pdbjplus/data/cc/svg/3LX.svg) | 3LX | Name: | tridecanethial | Formula: | C13 H26 S | SMILES: | S=CCCCCCCCCCCCC | InChi: | InChI=1S/C13H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3 | Definition date: | 2014-09-20 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | tridecanethial |
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![3MH 3MH](https://data.pdbj.org/pdbjplus/data/cc/svg/3MH.svg) | 3MH | Name: | 1-hydroxy-3-methylpyridine-2(1H)-thione | Formula: | C6 H7 N O S | SMILES: | S=C1C(=CC=CN1O)C | InChi: | InChI=1S/C6H7NOS/c1-5-3-2-4-7(8)6(5)9/h2-4,8H,1H3 | Definition date: | 2014-04-29 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 1-hydroxy-3-methylpyridine-2(1H)-thione |
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![3TW 3TW](https://data.pdbj.org/pdbjplus/data/cc/svg/3TW.svg) | 3TW | Name: | 4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1H-1,2,3-triazol-1-yl}phenol | Formula: | C20 H18 N4 O3 | SMILES: | n2nn(c1ccc(O)cc1)cc2c3nc4c(cc3)cc(OCCOC)cc4 | InChi: | InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3 | Definition date: | 2014-10-24 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1H-1,2,3-triazol-1-yl}phenol |
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![3TX 3TX](https://data.pdbj.org/pdbjplus/data/cc/svg/3TX.svg) | 3TX | Name: | 4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol | Formula: | C17 H12 N4 O | SMILES: | n2nn(c1ccc(O)cc1)cc2c3nc4c(cc3)cccc4 | InChi: | InChI=1S/C17H12N4O/c22-14-8-6-13(7-9-14)21-11-17(19-20-21)16-10-5-12-3-1-2-4-15(12)18-16/h1-11,22H | Definition date: | 2014-10-24 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol |
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![7MH 7MH](https://data.pdbj.org/pdbjplus/data/cc/svg/7MH.svg) | 7MH | Name: | 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione | Formula: | C7 H9 N O S | SMILES: | S=C1C=C(C=C(N1O)C)C | InChi: | InChI=1S/C7H9NOS/c1-5-3-6(2)8(9)7(10)4-5/h3-4,9H,1-2H3 | Definition date: | 2014-04-29 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione |
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![3FH 3FH](https://data.pdbj.org/pdbjplus/data/cc/svg/3FH.svg) | 3FH | Name: | 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione | Formula: | C6 H4 F3 N O S | SMILES: | S=C1C(=CC=CN1O)C(F)(F)F | InChi: | InChI=1S/C6H4F3NOS/c7-6(8,9)4-2-1-3-10(11)5(4)12/h1-3,11H | Definition date: | 2014-04-29 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione |
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![3JY 3JY](https://data.pdbj.org/pdbjplus/data/cc/svg/3JY.svg) | 3JY | Name: | [(1R)-2-methoxy-1-{[(1S,3R)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid | Formula: | C13 H19 N2 O8 P | SMILES: | O=C(OC)C(OC2CC(N1C=C(C(=O)NC1=O)C)CC2)P(=O)(O)O | InChi: | InChI=1S/C13H19N2O8P/c1-7-6-15(13(18)14-10(7)16)8-3-4-9(5-8)23-12(11(17)22-2)24(19,20)21/h6,8-9,12H,3-5H2,1-2H3,(H,14,16,18)(H2,19,20,21)/t8-,9+,12-/m1/s1 | Definition date: | 2014-08-28 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | [(1R)-2-methoxy-1-{[(1S,3R)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid |
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![43C 43C](https://data.pdbj.org/pdbjplus/data/cc/svg/43C.svg) | 43C | Name: | 4-{1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}benzonitrile | Formula: | C21 H18 N6 | SMILES: | N#Cc1ccc(cc1)c3n(cnc3c2ccccc2)CCn4nnc(c4)C | InChi: | InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3 | Definition date: | 2015-01-25 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 4-{1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}benzonitrile |
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![43D 43D](https://data.pdbj.org/pdbjplus/data/cc/svg/43D.svg) | 43D | Name: | 4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile | Formula: | C19 H18 N8 | SMILES: | N#Cc1ccc(cc1)c3n(cnc3c2cn(nc2)C)CCn4nnc(c4)C | InChi: | InChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3 | Definition date: | 2015-01-25 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile |
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![43S 43S](https://data.pdbj.org/pdbjplus/data/cc/svg/43S.svg) | 43S | Name: | 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine | Formula: | C13 H8 Br N5 O | SMILES: | Brc2cc1c(occ1)c(c2)c4nc(nc3c4ncn3)N | InChi: | InChI=1S/C13H8BrN5O/c14-7-3-6-1-2-20-11(6)8(4-7)9-10-12(17-5-16-10)19-13(15)18-9/h1-5H,(H3,15,16,17,18,19) | Definition date: | 2015-02-02 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine |
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![43U 43U](https://data.pdbj.org/pdbjplus/data/cc/svg/43U.svg) | 43U | Name: | 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine | Formula: | C12 H10 Br N5 O | SMILES: | Brc3cc(c2nc(nc1c2ncn1)N)c(OC)cc3 | InChi: | InChI=1S/C12H10BrN5O/c1-19-8-3-2-6(13)4-7(8)9-10-11(16-5-15-10)18-12(14)17-9/h2-5H,1H3,(H3,14,15,16,17,18) | Definition date: | 2015-02-02 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine |
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![44X 44X](https://data.pdbj.org/pdbjplus/data/cc/svg/44X.svg) | 44X | Name: | 6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline | Formula: | C24 H22 F N5 O3 | SMILES: | Fc4cc(cn1c4nnc1C(c3cc2cc(OCCOC)cnc2cc3)C)c5onc(c5)C | InChi: | InChI=1S/C24H22FN5O3/c1-14-8-22(33-29-14)18-11-20(25)24-28-27-23(30(24)13-18)15(2)16-4-5-21-17(9-16)10-19(12-26-21)32-7-6-31-3/h4-5,8-13,15H,6-7H2,1-3H3/t15-/m0/s1 | Definition date: | 2015-02-05 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline |
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![46G 46G](https://data.pdbj.org/pdbjplus/data/cc/svg/46G.svg) | 46G | Name: | 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline | Formula: | C22 H17 F2 N5 O2 | SMILES: | Fc4cc(cn1c4nnc1C(F)(c3cc2cc(OC)cnc2cc3)C)c5onc(c5)C | InChi: | InChI=1S/C22H17F2N5O2/c1-12-6-19(31-28-12)14-9-17(23)20-26-27-21(29(20)11-14)22(2,24)15-4-5-18-13(7-15)8-16(30-3)10-25-18/h4-11H,1-3H3/t22-/m1/s1 | Definition date: | 2015-02-10 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline |
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![4C2 4C2](https://data.pdbj.org/pdbjplus/data/cc/svg/4C2.svg) | 4C2 | Name: | N-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide | Formula: | C22 H23 F3 N4 O5 S | SMILES: | C=2(NS(c1c(noc1C)C)(=O)=O)C(C(=O)C=2N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F)=O | InChi: | InChI=1S/C22H23F3N4O5S/c1-12-21(13(2)34-27-12)35(32,33)28-17-18(20(31)19(17)30)29-9-7-16(8-10-29)26-11-14-3-5-15(6-4-14)22(23,24)25/h3-6,16,26,28H,7-11H2,1-2H3 | Definition date: | 2015-02-26 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | N-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide |
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![4C6 4C6](https://data.pdbj.org/pdbjplus/data/cc/svg/4C6.svg) | 4C6 | Name: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide | Formula: | C22 H25 N3 O5 S | SMILES: | C4(NS(c1c(C)onc1C)(=O)=O)=C(N3CCC(Cc2ccc(cc2)C)CC3)C(=O)C4=O | InChi: | InChI=1S/C22H25N3O5S/c1-13-4-6-16(7-5-13)12-17-8-10-25(11-9-17)19-18(20(26)21(19)27)24-31(28,29)22-14(2)23-30-15(22)3/h4-7,17,24H,8-12H2,1-3H3 | Definition date: | 2015-02-26 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide |
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![4CC 4CC](https://data.pdbj.org/pdbjplus/data/cc/svg/4CC.svg) | 4CC | Name: | N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine | Formula: | C25 H25 N7 O3 | SMILES: | n2(C)c(CNc1ccc(cc1)/C(N)=N)nc3cc(ccc23)C(N(c4ncccc4)CCC(=O)O)=O | InChi: | InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34) | Definition date: | 2015-02-27 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine |
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