![5GU 5GU](https://data.pdbj.org/pdbjplus/data/cc/svg/5GU.svg) | 5GU | Name: | 7-bromo-3,4-dihydroquinoxalin-2(1H)-one | Formula: | C8 H7 Br N2 O | SMILES: | O=C2CNc1ccc(Br)cc1N2 | InChi: | InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12) | Definition date: | 2015-09-24 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | 7-bromo-3,4-dihydroquinoxalin-2(1H)-one |
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![5GV 5GV](https://data.pdbj.org/pdbjplus/data/cc/svg/5GV.svg) | 5GV | Name: | (2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid | Formula: | C11 H12 N2 O3 | SMILES: | O=C1C(Nc2c(N1)cc(cc2)C(O)=O)CC | InChi: | InChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1 | Definition date: | 2015-09-24 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | (2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid |
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![OE2 OE2](https://data.pdbj.org/pdbjplus/data/cc/svg/OE2.svg) | OE2 | Name: | PSAMMAPLIN C | Formula: | C11 H14 Br N3 O5 S | SMILES: | N[S](=O)(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO | InChi: | InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+ | Definition date: | 2015-06-26 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | (2E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide |
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![A9H A9H](https://data.pdbj.org/pdbjplus/data/cc/svg/A9H.svg) | A9H | Name: | Abietic acid | Formula: | C20 H30 O2 | SMILES: | O=C(O)C1(CCCC2(C3C(=CCC12)C=C(CC3)C(C)C)C)C | InChi: | InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1 | Definition date: | 2013-07-22 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | (5beta)-abieta-7,13-dien-18-oic acid |
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![4YO 4YO](https://data.pdbj.org/pdbjplus/data/cc/svg/4YO.svg) | 4YO | Name: | 6-bromo-3,4-dihydroquinoxalin-2(1H)-one | Formula: | C8 H7 Br N2 O | SMILES: | O=C2CNc1cc(Br)ccc1N2 | InChi: | InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12) | Definition date: | 2015-06-25 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | 6-bromo-3,4-dihydroquinoxalin-2(1H)-one |
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![4YS 4YS](https://data.pdbj.org/pdbjplus/data/cc/svg/4YS.svg) | 4YS | Name: | isoquinolin-1(2H)-one | Formula: | C9 H7 N O | SMILES: | c1cccc2c1C=CNC2=O | InChi: | InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11) | Definition date: | 2015-06-26 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | isoquinolin-1(2H)-one |
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![6BZ 6BZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6BZ.svg) | 6BZ | Name: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one | Formula: | C22 H22 Cl N7 O2 | SMILES: | c2c(N1C=CN=C(C1=O)C)ccc(c2Cl)C=3C(N(c4c(C=3)cnc(n4)NC)CCCN)=O | InChi: | InChI=1S/C22H22ClN7O2/c1-13-20(31)29(9-7-26-13)15-4-5-16(18(23)11-15)17-10-14-12-27-22(25-2)28-19(14)30(21(17)32)8-3-6-24/h4-5,7,9-12H,3,6,8,24H2,1-2H3,(H,25,27,28) | Definition date: | 2016-03-07 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one |
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![6EJ 6EJ](https://data.pdbj.org/pdbjplus/data/cc/svg/6EJ.svg) | 6EJ | Name: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one | Formula: | C24 H26 F N5 O3 | SMILES: | c6c1c2c(C(CN2C(C=C1)=O)CN3CCC(CC3)NCc5cc4OCCOc4nn5)c(c6)F | InChi: | InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1 | Definition date: | 2016-03-23 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one |
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![6ES 6ES](https://data.pdbj.org/pdbjplus/data/cc/svg/6ES.svg) | 6ES | Name: | (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate | Formula: | C24 H45 O13 P | SMILES: | CCCCC(OCC(COP(O)(OC1C(C(C(C(C1O)O)O)O)O)=O)OC(=O)CCCCCCCCC)=O | InChi: | InChI=1S/C24H45O13P/c1-3-5-7-8-9-10-11-13-18(26)36-16(14-34-17(25)12-6-4-2)15-35-38(32,33)37-24-22(30)20(28)19(27)21(29)23(24)31/h16,19-24,27-31H,3-15H2,1-2H3,(H,32,33)/t16-,19-,20-,21-,22+,23-,24+/m0/s1 | Definition date: | 2016-03-23 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate |
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![6GN 6GN](https://data.pdbj.org/pdbjplus/data/cc/svg/6GN.svg) | 6GN | Name: | 1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium | Formula: | C33 H45 N5 O7 S2 | SMILES: | C(N)COCCOCCNC(=O)CCC(NCCC[n+]3ccc(Cc2[n+](c1c(cccc1)s2)CCCS(O)(=O)=O)c4c3cccc4)=O | InChi: | InChI=1S/C33H43N5O7S2/c34-14-20-44-22-23-45-21-16-36-32(40)12-11-31(39)35-15-5-17-37-19-13-26(27-7-1-2-8-28(27)37)25-33-38(18-6-24-47(41,42)43)29-9-3-4-10-30(29)46-33/h1-4,7-10,13,19H,5-6,11-12,14-18,20-25,34H2,(H-2,35,36,39,40,41,42,43)/p+2 | Definition date: | 2016-04-06 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | 1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium |
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![6H5 6H5](https://data.pdbj.org/pdbjplus/data/cc/svg/6H5.svg) | 6H5 | Name: | 4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine | Formula: | C30 H35 N5 O5 | SMILES: | N(C(=N)NCc1c(cccc1Oc2cccc(c2)OC)N3CCCCC3)C(=O)c4ccc(cc4)CC(C(=O)O)N | InChi: | InChI=1S/C30H35N5O5/c1-39-22-7-5-8-23(18-22)40-27-10-6-9-26(35-15-3-2-4-16-35)24(27)19-33-30(32)34-28(36)21-13-11-20(12-14-21)17-25(31)29(37)38/h5-14,18,25H,2-4,15-17,19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t25-/m0/s1 | Definition date: | 2016-04-08 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | 4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine |
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![6HO 6HO](https://data.pdbj.org/pdbjplus/data/cc/svg/6HO.svg) | 6HO | Name: | (2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone | Formula: | C11 H10 F N O | SMILES: | c1(cc(ccc1)C(=O)N2CC=CC2)F | InChi: | InChI=1S/C11H10FNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h1-5,8H,6-7H2 | Definition date: | 2016-04-12 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | (2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone |
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![6HP 6HP](https://data.pdbj.org/pdbjplus/data/cc/svg/6HP.svg) | 6HP | Name: | 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione | Formula: | C10 H16 N2 O3 | SMILES: | CC(COC=1N(C(=O)N(C(C=1)=O)C)C)C | InChi: | InChI=1S/C10H16N2O3/c1-7(2)6-15-9-5-8(13)11(3)10(14)12(9)4/h5,7H,6H2,1-4H3 | Definition date: | 2016-04-12 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione |
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![6HQ 6HQ](https://data.pdbj.org/pdbjplus/data/cc/svg/6HQ.svg) | 6HQ | Name: | 1,5,5-trimethylimidazolidine-2,4-dione | Formula: | C6 H10 N2 O2 | SMILES: | CN1C(=O)NC(=O)C1(C)C | InChi: | InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10) | Definition date: | 2016-04-12 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | 1,5,5-trimethylimidazolidine-2,4-dione |
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![6HR 6HR](https://data.pdbj.org/pdbjplus/data/cc/svg/6HR.svg) | 6HR | Name: | 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol | Formula: | C20 H22 N2 O S | SMILES: | Cc1ccccc1c2c(ccc(c2)Nc3nc(CCCO)cs3)C | InChi: | InChI=1S/C20H22N2OS/c1-14-6-3-4-8-18(14)19-12-16(10-9-15(19)2)21-20-22-17(13-24-20)7-5-11-23/h3-4,6,8-10,12-13,23H,5,7,11H2,1-2H3,(H,21,22) | Definition date: | 2016-04-12 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol |
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![6HU 6HU](https://data.pdbj.org/pdbjplus/data/cc/svg/6HU.svg) | 6HU | Name: | (2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol | Formula: | C23 H30 N4 O3 | SMILES: | COC(CO)Cn3ccc(Nc1cc(c(cc1OCCN)C)c2c(cccc2)C)n3 | InChi: | InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26)/t18-/m0/s1 | Definition date: | 2016-04-12 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | (2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol |
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![6HV 6HV](https://data.pdbj.org/pdbjplus/data/cc/svg/6HV.svg) | 6HV | Name: | (2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone | Formula: | C18 H15 N O S | SMILES: | Cc1ccccc1c3c(ccc(C(=O)c2nccs2)c3)C | InChi: | InChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3 | Definition date: | 2016-04-12 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | (2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone |
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![6HW 6HW](https://data.pdbj.org/pdbjplus/data/cc/svg/6HW.svg) | 6HW | Name: | N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine | Formula: | C17 H16 N2 S | SMILES: | Cc1ccccc1c2c(ccc(c2)Nc3nccs3)C | InChi: | InChI=1S/C17H16N2S/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)19-17-18-9-10-20-17/h3-11H,1-2H3,(H,18,19) | Definition date: | 2016-04-12 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine |
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![6HX 6HX](https://data.pdbj.org/pdbjplus/data/cc/svg/6HX.svg) | 6HX | Name: | 2'-chloro-6-methyl[1,1'-biphenyl]-3-amine | Formula: | C13 H12 Cl N | SMILES: | Cc1c(cc(N)cc1)c2ccccc2Cl | InChi: | InChI=1S/C13H12ClN/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14/h2-8H,15H2,1H3 | Definition date: | 2016-04-12 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | 2'-chloro-6-methyl[1,1'-biphenyl]-3-amine |
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![6HZ 6HZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6HZ.svg) | 6HZ | Name: | (2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone | Formula: | C19 H19 N O | SMILES: | Cc1ccccc1c3cc(C(=O)N2CC=CC2)ccc3C | InChi: | InChI=1S/C19H19NO/c1-14-7-3-4-8-17(14)18-13-16(10-9-15(18)2)19(21)20-11-5-6-12-20/h3-10,13H,11-12H2,1-2H3 | Definition date: | 2016-04-12 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | (2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone |
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![6KN 6KN](https://data.pdbj.org/pdbjplus/data/cc/svg/6KN.svg) | 6KN | Name: | 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole | Formula: | C14 H10 F3 N3 | SMILES: | c3cc(c2c1cnnc1cc(c2)C(F)(F)F)c(C)cn3 | InChi: | InChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20) | Definition date: | 2016-04-22 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole |
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![6KO 6KO](https://data.pdbj.org/pdbjplus/data/cc/svg/6KO.svg) | 6KO | Name: | [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate | Formula: | C18 H19 N5 O3 | SMILES: | c4c(C(=O)OCC1N(CCC1)c3ccnc2ncnn23)c(OC)ccc4 | InChi: | InChI=1S/C18H19N5O3/c1-25-15-7-3-2-6-14(15)17(24)26-11-13-5-4-10-22(13)16-8-9-19-18-20-12-21-23(16)18/h2-3,6-9,12-13H,4-5,10-11H2,1H3/t13-/m1/s1 | Definition date: | 2016-04-22 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | [(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate |
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![6KP 6KP](https://data.pdbj.org/pdbjplus/data/cc/svg/6KP.svg) | 6KP | Name: | 7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole | Formula: | C16 H11 F N6 | SMILES: | n1c(C)c(cc2c1ncn2)n4c3c(nnc3)c5cc(F)ccc45 | InChi: | InChI=1S/C16H11FN6/c1-8-13(5-11-16(21-8)19-7-18-11)23-12-3-2-9(17)4-10(12)15-14(23)6-20-22-15/h2-7H,1H3,(H,20,22)(H,18,19,21) | Definition date: | 2016-04-22 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | 7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole |
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![6KY 6KY](https://data.pdbj.org/pdbjplus/data/cc/svg/6KY.svg) | 6KY | Name: | (2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid | Formula: | C7 H15 N O2 Se | SMILES: | N(C)(C(CC[Se]C)C(=O)O)C | InChi: | InChI=1S/C7H15NO2Se/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1 | Definition date: | 2016-04-25 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | (2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid |
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![6LO 6LO](https://data.pdbj.org/pdbjplus/data/cc/svg/6LO.svg) | 6LO | Name: | N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide | Formula: | C26 H27 N5 O2 | SMILES: | c12c(c(N)ncn1)c(cn2C3CC(C3)CNC(=O)C)c4cccc(c4)OCc5ccccc5 | InChi: | InChI=1S/C26H27N5O2/c1-17(32)28-13-19-10-21(11-19)31-14-23(24-25(27)29-16-30-26(24)31)20-8-5-9-22(12-20)33-15-18-6-3-2-4-7-18/h2-9,12,14,16,19,21H,10-11,13,15H2,1H3,(H,28,32)(H2,27,29,30) | Definition date: | 2016-05-02 | Last modified: | 2016-05-20 | Release date: | 2016-05-25 | Identifier: | N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide |
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