![4X8 4X8](https://data.pdbj.org/pdbjplus/data/cc/svg/4X8.svg) | 4X8 | Name: | 2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine | Formula: | C16 H20 N4 | SMILES: | C1N(Cc2c(C1)cccc2N)Cc3c(c(ccn3)N)C | InChi: | InChI=1S/C16H20N4/c1-11-14(17)5-7-19-16(11)10-20-8-6-12-3-2-4-15(18)13(12)9-20/h2-5,7H,6,8-10,18H2,1H3,(H2,17,19) | Definition date: | 2015-06-16 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
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![4XC 4XC](https://data.pdbj.org/pdbjplus/data/cc/svg/4XC.svg) | 4XC | Name: | 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide | Formula: | C13 H19 N3 O | SMILES: | C1N(Cc2c(C1)cccc2N)CCC(NC)=O | InChi: | InChI=1S/C13H19N3O/c1-15-13(17)6-8-16-7-5-10-3-2-4-12(14)11(10)9-16/h2-4H,5-9,14H2,1H3,(H,15,17) | Definition date: | 2015-06-16 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide |
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![4XD 4XD](https://data.pdbj.org/pdbjplus/data/cc/svg/4XD.svg) | 4XD | Name: | 2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine | Formula: | C12 H18 N2 O | SMILES: | C1N(Cc2c(C1)cccc2N)CCOC | InChi: | InChI=1S/C12H18N2O/c1-15-8-7-14-6-5-10-3-2-4-12(13)11(10)9-14/h2-4H,5-9,13H2,1H3 | Definition date: | 2015-06-16 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine |
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![4XG 4XG](https://data.pdbj.org/pdbjplus/data/cc/svg/4XG.svg) | 4XG | Name: | 2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine | Formula: | C14 H23 N3 | SMILES: | C1N(Cc2c(C1)cccc2N)CCCN(C)C | InChi: | InChI=1S/C14H23N3/c1-16(2)8-4-9-17-10-7-12-5-3-6-14(15)13(12)11-17/h3,5-6H,4,7-11,15H2,1-2H3 | Definition date: | 2015-06-17 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
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![4XJ 4XJ](https://data.pdbj.org/pdbjplus/data/cc/svg/4XJ.svg) | 4XJ | Name: | 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine | Formula: | C14 H22 N2 O2 | SMILES: | COCC(N2CCc1cccc(c1C2)N)COC | InChi: | InChI=1S/C14H22N2O2/c1-17-9-12(10-18-2)16-7-6-11-4-3-5-14(15)13(11)8-16/h3-5,12H,6-10,15H2,1-2H3 | Definition date: | 2015-06-17 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine |
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![4XK 4XK](https://data.pdbj.org/pdbjplus/data/cc/svg/4XK.svg) | 4XK | Name: | 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine | Formula: | C17 H26 N2 O2 | SMILES: | C1N(Cc2c(C1)c(N)ccc2)CCCOC3CCOCC3 | InChi: | InChI=1S/C17H26N2O2/c18-17-4-1-3-14-13-19(9-5-16(14)17)8-2-10-21-15-6-11-20-12-7-15/h1,3-4,15H,2,5-13,18H2 | Definition date: | 2015-06-17 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine |
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![4XL 4XL](https://data.pdbj.org/pdbjplus/data/cc/svg/4XL.svg) | 4XL | Name: | 2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine | Formula: | C16 H25 N3 O | SMILES: | C1N(Cc2c(C1)cccc2N)CCCN3CCOCC3 | InChi: | InChI=1S/C16H25N3O/c17-16-4-1-3-14-5-8-19(13-15(14)16)7-2-6-18-9-11-20-12-10-18/h1,3-4H,2,5-13,17H2 | Definition date: | 2015-06-17 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
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![4XM 4XM](https://data.pdbj.org/pdbjplus/data/cc/svg/4XM.svg) | 4XM | Name: | 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine | Formula: | C17 H26 N2 O2 | SMILES: | C1N(Cc2c(C1)cccc2N)CCCOC3CCOCC3 | InChi: | InChI=1S/C17H26N2O2/c18-17-4-1-3-14-5-9-19(13-16(14)17)8-2-10-21-15-6-11-20-12-7-15/h1,3-4,15H,2,5-13,18H2 | Definition date: | 2015-06-17 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
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![4XP 4XP](https://data.pdbj.org/pdbjplus/data/cc/svg/4XP.svg) | 4XP | Name: | 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole) | Formula: | C9 H14 N6 | SMILES: | C(Cc1nnn(C)c1)Cc2nnn(c2)C | InChi: | InChI=1S/C9H14N6/c1-14-6-8(10-12-14)4-3-5-9-7-15(2)13-11-9/h6-7H,3-5H2,1-2H3 | Definition date: | 2015-06-18 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole) |
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![4XQ 4XQ](https://data.pdbj.org/pdbjplus/data/cc/svg/4XQ.svg) | 4XQ | Name: | 4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole) | Formula: | C15 H26 N6 | SMILES: | C(Cn1cc(nn1)CCCCCc2cn(CCC)nn2)C | InChi: | InChI=1S/C15H26N6/c1-3-10-20-12-14(16-18-20)8-6-5-7-9-15-13-21(11-4-2)19-17-15/h12-13H,3-11H2,1-2H3 | Definition date: | 2015-06-18 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole) |
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![4Z2 4Z2](https://data.pdbj.org/pdbjplus/data/cc/svg/4Z2.svg) | 4Z2 | Name: | 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyridine-4-carboxamide | Formula: | C22 H28 N4 O2 | SMILES: | C1CCC1Nc2nccc(c2)C(NCC(O)CN3Cc4c(CC3)cccc4)=O | InChi: | InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1 | Definition date: | 2015-06-29 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyridine-4-carboxamide |
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![65V 65V](https://data.pdbj.org/pdbjplus/data/cc/svg/65V.svg) | 65V | Name: | 3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid | Formula: | C24 H15 F N4 O4 | SMILES: | c5(n4cc(c1nc2c(cc1)c(ccc2)Oc3cc(ccc3)C(=O)O)nn4)cc(c(cc5)O)F | InChi: | InChI=1S/C24H15FN4O4/c25-18-12-15(7-10-22(18)30)29-13-21(27-28-29)20-9-8-17-19(26-20)5-2-6-23(17)33-16-4-1-3-14(11-16)24(31)32/h1-13,30H,(H,31,32) | Definition date: | 2016-02-01 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid |
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![67S 67S](https://data.pdbj.org/pdbjplus/data/cc/svg/67S.svg) | 67S | Name: | {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol | Formula: | C21 H27 F3 N4 O4 S | SMILES: | O=S(=O)(C)c1c(CO)ccc(c1)N2CC(C(C)C)N(CC2)c3nc(C(F)(F)F)c(cn3)CO | InChi: | InChI=1S/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/m0/s1 | Definition date: | 2016-02-15 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol |
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![68N 68N](https://data.pdbj.org/pdbjplus/data/cc/svg/68N.svg) | 68N | Name: | [(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol | Formula: | C10 H13 N O | SMILES: | c1c2c(ccc1)C(NCC2)CO | InChi: | InChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1 | Definition date: | 2016-02-17 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | [(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol |
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![6BK 6BK](https://data.pdbj.org/pdbjplus/data/cc/svg/6BK.svg) | 6BK | Name: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one | Formula: | C15 H10 O5 | SMILES: | Oc1cc(ccc1O)C2=CC(=O)c3c(O2)cccc3O | InChi: | InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16-18H | Definition date: | 2016-03-02 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one |
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![6BL 6BL](https://data.pdbj.org/pdbjplus/data/cc/svg/6BL.svg) | 6BL | Name: | 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one | Formula: | C11 H8 N2 O2 | SMILES: | Cc3c2c1c(cccc1)C(=O)Oc2nn3 | InChi: | InChI=1S/C11H8N2O2/c1-6-9-7-4-2-3-5-8(7)11(14)15-10(9)13-12-6/h2-5H,1H3,(H,12,13) | Definition date: | 2016-03-02 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one |
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![6BT 6BT](https://data.pdbj.org/pdbjplus/data/cc/svg/6BT.svg) | 6BT | Name: | [(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol | Formula: | C10 H13 N O | SMILES: | C1CNC(CO)c2c1cccc2 | InChi: | InChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1 | Definition date: | 2016-03-03 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | [(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol |
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![6BU 6BU](https://data.pdbj.org/pdbjplus/data/cc/svg/6BU.svg) | 6BU | Name: | N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide | Formula: | C20 H20 N4 O3 S | SMILES: | c3(ccc2c(NC(C1CC1)=O)nnc2c3)c5cccc(NS(=O)(=O)C4CC4)c5 | InChi: | InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25) | Definition date: | 2016-03-04 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide |
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![6DT 6DT](https://data.pdbj.org/pdbjplus/data/cc/svg/6DT.svg) | 6DT | Name: | N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine | Formula: | C20 H16 N6 O | SMILES: | Cn1ccc2ncnc(Oc3ccc(Nc4[nH]c5ccccc5n4)cc3)c12 | InChi: | InChI=1S/C20H16N6O/c1-26-11-10-17-18(26)19(22-12-21-17)27-14-8-6-13(7-9-14)23-20-24-15-4-2-3-5-16(15)25-20/h2-12H,1H3,(H2,23,24,25) | Definition date: | 2016-04-11 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | ~{N}-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1~{H}-benzimidazol-2-amine |
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![6DV 6DV](https://data.pdbj.org/pdbjplus/data/cc/svg/6DV.svg) | 6DV | Name: | N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine | Formula: | C20 H21 F2 N9 O | SMILES: | C4N(CCN(CCNc3nc(N)n1c(nc(n1)c2ccco2)n3)C4)c5ccc(cc5F)F | InChi: | InChI=1S/C20H21F2N9O/c21-13-3-4-15(14(22)12-13)30-9-7-29(8-10-30)6-5-24-19-26-18(23)31-20(27-19)25-17(28-31)16-2-1-11-32-16/h1-4,11-12H,5-10H2,(H3,23,24,25,26,27,28) | Definition date: | 2016-03-18 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
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![6DW 6DW](https://data.pdbj.org/pdbjplus/data/cc/svg/6DW.svg) | 6DW | Name: | 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | Formula: | C28 H27 N7 O2 | SMILES: | O=C1C(=CN(CC2CC2)N=C1c3ccnn3c4ccccc4)OCCN5CCn6c7ccccc7nc56 | InChi: | InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2 | Definition date: | 2016-04-11 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 1-(cyclopropylmethyl)-5-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethoxy]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one |
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![6DX 6DX](https://data.pdbj.org/pdbjplus/data/cc/svg/6DX.svg) | 6DX | Name: | 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine | Formula: | C21 H25 N9 O | SMILES: | C2N(CCN(c1ccccc1)C2)CCCNc5nc(N)n3c(nc(n3)c4ccco4)n5 | InChi: | InChI=1S/C21H25N9O/c22-19-25-20(26-21-24-18(27-30(19)21)17-8-4-15-31-17)23-9-5-10-28-11-13-29(14-12-28)16-6-2-1-3-7-16/h1-4,6-8,15H,5,9-14H2,(H3,22,23,24,25,26,27) | Definition date: | 2016-03-18 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
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![6DY 6DY](https://data.pdbj.org/pdbjplus/data/cc/svg/6DY.svg) | 6DY | Name: | 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine | Formula: | C21 H24 N8 O | SMILES: | C1CN(CCC1c2ccccc2)CCNc5nc(N)n3c(nc(n3)c4ccco4)n5 | InChi: | InChI=1S/C21H24N8O/c22-19-25-20(26-21-24-18(27-29(19)21)17-7-4-14-30-17)23-10-13-28-11-8-16(9-12-28)15-5-2-1-3-6-15/h1-7,14,16H,8-13H2,(H3,22,23,24,25,26,27) | Definition date: | 2016-03-18 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
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![6DZ 6DZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6DZ.svg) | 6DZ | Name: | 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine | Formula: | C15 H21 N9 O | SMILES: | n1c(nn3c1nc(NCCN2CCN(C)CC2)nc3N)c4ccco4 | InChi: | InChI=1S/C15H21N9O/c1-22-6-8-23(9-7-22)5-4-17-14-19-13(16)24-15(20-14)18-12(21-24)11-3-2-10-25-11/h2-3,10H,4-9H2,1H3,(H3,16,17,18,19,20,21) | Definition date: | 2016-03-18 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
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![6K9 6K9](https://data.pdbj.org/pdbjplus/data/cc/svg/6K9.svg) | 6K9 | Name: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name) | Formula: | C40 H59 N O11 | SMILES: | C31C9OC2C1OC5(C2)OC9C4C(O3)CCC(O4)CC(CC8C(CC7C(/C(CC(CCC6C(CC(CC5)O6)=C)O7)C)=C)OC(C8OC)CC(CN)O)=O | InChi: | InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1 | Definition date: | 2016-04-21 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name) |
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