![UJB UJB](https://data.pdbj.org/pdbjplus/data/cc/svg/UJB.svg) | UJB | Name: | (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one | Formula: | C19 H22 Cl F3 N4 O2 S | SMILES: | Clc1sc(cc1)CN4C3=NC(N2C(C)COCC2C)=CC(=O)N3CCC4C(F)(F)F | InChi: | InChI=1S/C19H22ClF3N4O2S/c1-11-9-29-10-12(2)27(11)16-7-17(28)25-6-5-14(19(21,22)23)26(18(25)24-16)8-13-3-4-15(20)30-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t11-,12-,14+/m1/s1 | Definition date: | 2014-08-12 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | (8S)-9-[(5-chlorothiophen-2-yl)methyl]-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
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![RBQ RBQ](https://data.pdbj.org/pdbjplus/data/cc/svg/RBQ.svg) | RBQ | Name: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one | Formula: | C17 H25 F3 N4 O3 | SMILES: | FC(F)(F)C3N(C2=NC(N1CCOCC1)=CC(=O)N2CC3)CCOC(C)C | InChi: | InChI=1S/C17H25F3N4O3/c1-12(2)27-10-7-23-13(17(18,19)20)3-4-24-15(25)11-14(21-16(23)24)22-5-8-26-9-6-22/h11-13H,3-10H2,1-2H3/t13-/m0/s1 | Definition date: | 2014-08-12 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
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![1UV 1UV](https://data.pdbj.org/pdbjplus/data/cc/svg/1UV.svg) | 1UV | Name: | (3aS,4R)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid | Formula: | C19 H20 F N3 O4 | SMILES: | O=C(O)C4=CN(c3c2c(N1CCC(N)C1COC2)c(F)cc3C4=O)C5CC5 | InChi: | InChI=1S/C19H20FN3O4/c20-13-5-10-16(23(9-1-2-9)6-11(18(10)24)19(25)26)12-7-27-8-15-14(21)3-4-22(15)17(12)13/h5-6,9,14-15H,1-4,7-8,21H2,(H,25,26)/t14-,15-/m1/s1 | Definition date: | 2013-06-12 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | (3aS,4R)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid |
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![7A5 7A5](https://data.pdbj.org/pdbjplus/data/cc/svg/7A5.svg) | 7A5 | Name: | (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one | Formula: | C18 H25 F3 N4 O3 | SMILES: | FC(F)(F)C3N(C2=NC(N1C(COCC1)C)=CC(=O)N2CC3)CC(=O)C(C)C | InChi: | InChI=1S/C18H25F3N4O3/c1-11(2)13(26)9-25-14(18(19,20)21)4-5-24-16(27)8-15(22-17(24)25)23-6-7-28-10-12(23)3/h8,11-12,14H,4-7,9-10H2,1-3H3/t12-,14+/m1/s1 | Definition date: | 2014-08-12 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
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![37K 37K](https://data.pdbj.org/pdbjplus/data/cc/svg/37K.svg) | 37K | Name: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate | Formula: | C46 H60 N2 O10 | SMILES: | O=C(N1CCCCC1C(=O)OC(c3cc(OCCN2CCOCC2)ccc3)CCc4ccc(OC)c(OC)c4)C(c5cc(OC)c(OC)c(OC)c5)C6C=CCCC6 | InChi: | InChI=1S/C46H60N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h7,11-12,14-15,18,20,28-31,33,37-38,43H,6,8-10,13,16-17,19,21-27H2,1-5H3/t33-,37+,38-,43+/m1/s1 | Definition date: | 2014-07-04 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate |
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![3JC 3JC](https://data.pdbj.org/pdbjplus/data/cc/svg/3JC.svg) | 3JC | Name: | (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one | Formula: | C15 H15 N3 O | SMILES: | O=C3c1c(nc(nc1CC(c2ccccc2)C3)N)C | InChi: | InChI=1S/C15H15N3O/c1-9-14-12(18-15(16)17-9)7-11(8-13(14)19)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,16,17,18)/t11-/m0/s1 | Definition date: | 2014-08-26 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one |
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![AF5 AF5](https://data.pdbj.org/pdbjplus/data/cc/svg/AF5.svg) | AF5 | Name: | (7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid | Formula: | C20 H20 F N3 O3 | SMILES: | O=C(O)C3=CN(c2c1C=CCC4N(c1c(F)cc2C3=O)CCC4N)C5CC5 | InChi: | InChI=1S/C20H20FN3O3/c21-14-8-12-17(24(10-4-5-10)9-13(19(12)25)20(26)27)11-2-1-3-16-15(22)6-7-23(16)18(11)14/h1-2,8-10,15-16H,3-7,22H2,(H,26,27)/t15-,16-/m1/s1 | Definition date: | 2013-06-12 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | (7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid |
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![EUT EUT](https://data.pdbj.org/pdbjplus/data/cc/svg/EUT.svg) | EUT | Name: | (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one | Formula: | C18 H17 F5 N4 O2 | SMILES: | Fc1cc(cc(F)c1)N4C3=NC(N2CCOCC2)=CC(=O)N3CCC4C(F)(F)F | InChi: | InChI=1S/C18H17F5N4O2/c19-11-7-12(20)9-13(8-11)27-14(18(21,22)23)1-2-26-16(28)10-15(24-17(26)27)25-3-5-29-6-4-25/h7-10,14H,1-6H2/t14-/m0/s1 | Definition date: | 2014-08-12 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | (8S)-9-(3,5-difluorophenyl)-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
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![JXM JXM](https://data.pdbj.org/pdbjplus/data/cc/svg/JXM.svg) | JXM | Name: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one | Formula: | C20 H23 F3 N4 O3 | SMILES: | FC(F)(F)C3N(C2=NC(N1CCOCC1)=CC(=O)N2CC3)CC(O)c4ccccc4 | InChi: | InChI=1S/C20H23F3N4O3/c21-20(22,23)16-6-7-26-18(29)12-17(25-8-10-30-11-9-25)24-19(26)27(16)13-15(28)14-4-2-1-3-5-14/h1-5,12,15-16,28H,6-11,13H2/t15-,16-/m0/s1 | Definition date: | 2014-08-12 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
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![Y3M Y3M](https://data.pdbj.org/pdbjplus/data/cc/svg/Y3M.svg) | Y3M | Name: | ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | Formula: | C25 H22 N4 O4 S | SMILES: | O=C(OCC)c6c5N=C1C(=C(O)CCC1)C(c4oc(Sc2nc3c(n2)cccc3)cc4)c5cn6 | InChi: | InChI=1S/C25H22N4O4S/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26,30H,2,5,8-9H2,1H3,(H,28,29)/t20-/m1/s1 | Definition date: | 2014-09-02 | Last modified: | 2014-11-14 | Release date: | 2014-11-19 | Identifier: | ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate |
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![QMN QMN](https://data.pdbj.org/pdbjplus/data/cc/svg/QMN.svg) | QMN | Name: | ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | Formula: | C27 H24 N4 O4 | SMILES: | O=C(OCC)c3c2NC1=C(C(=O)CCC1)C(c2cn3)c6cc(Oc5nc4ccccc4n5)ccc6 | InChi: | InChI=1S/C27H24N4O4/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31)/t22-/m0/s1 | Definition date: | 2014-09-05 | Last modified: | 2014-11-14 | Release date: | 2014-11-19 | Identifier: | ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate |
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![3HV 3HV](https://data.pdbj.org/pdbjplus/data/cc/svg/3HV.svg) | 3HV | Name: | 5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | Formula: | C31 H21 Cl2 N3 O5 S | SMILES: | O=C(O)c2nn(c1ccc(Cl)c(Cl)c1)c(c2)c3ccc(cc3)CN5C(=S)c4ccc(cc4CC5)c6oc(C(=O)O)cc6 | InChi: | InChI=1S/C31H21Cl2N3O5S/c32-23-8-6-21(14-24(23)33)36-26(15-25(34-36)30(37)38)18-3-1-17(2-4-18)16-35-12-11-19-13-20(5-7-22(19)29(35)42)27-9-10-28(41-27)31(39)40/h1-10,13-15H,11-12,16H2,(H,37,38)(H,39,40) | Definition date: | 2014-08-20 | Last modified: | 2014-11-14 | Release date: | 2014-11-19 | Identifier: | 5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid |
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![NF1 NF1](https://data.pdbj.org/pdbjplus/data/cc/svg/NF1.svg) | NF1 | Name: | 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione | Formula: | C18 H16 N4 O2 S | SMILES: | O=C3c1c2c(ccc1)cccc2C(=O)N3CCNCc4nnc(s4)C | InChi: | InChI=1S/C18H16N4O2S/c1-11-20-21-15(25-11)10-19-8-9-22-17(23)13-6-2-4-12-5-3-7-14(16(12)13)18(22)24/h2-7,19H,8-10H2,1H3 | Definition date: | 2013-12-04 | Last modified: | 2014-10-31 | Release date: | 2014-11-05 | Identifier: | 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
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![NF6 NF6](https://data.pdbj.org/pdbjplus/data/cc/svg/NF6.svg) | NF6 | Name: | 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione | Formula: | C20 H21 N5 O2 S | SMILES: | O=C3c1c2c(c(N(C)C)cc1)cccc2C(=O)N3CCNCc4nnc(s4)C | InChi: | InChI=1S/C20H21N5O2S/c1-12-22-23-17(28-12)11-21-9-10-25-19(26)14-6-4-5-13-16(24(2)3)8-7-15(18(13)14)20(25)27/h4-8,21H,9-11H2,1-3H3 | Definition date: | 2013-12-04 | Last modified: | 2014-10-31 | Release date: | 2014-11-05 | Identifier: | 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
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![39R 39R](https://data.pdbj.org/pdbjplus/data/cc/svg/39R.svg) | 39R | Name: | 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline | Formula: | C14 H12 N4 | SMILES: | n2nc(c1cc(ccc1)N)nc2c3ccccc3 | InChi: | InChI=1S/C14H12N4/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h1-9H,15H2,(H,16,17,18) | Definition date: | 2014-07-11 | Last modified: | 2014-10-24 | Release date: | 2014-10-29 | Identifier: | 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline |
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![XG1 XG1](https://data.pdbj.org/pdbjplus/data/cc/svg/XG1.svg) | XG1 | Name: | 2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine | Formula: | C14 H16 N4 | SMILES: | n2c3c(c1cn(nc1c2N)CCCC)cccc3 | InChi: | InChI=1S/C14H16N4/c1-2-3-8-18-9-11-10-6-4-5-7-12(10)16-14(15)13(11)17-18/h4-7,9H,2-3,8H2,1H3,(H2,15,16) | Definition date: | 2014-05-19 | Last modified: | 2014-10-17 | Release date: | 2014-10-22 | Identifier: | 2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine |
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![0V0 0V0](https://data.pdbj.org/pdbjplus/data/cc/svg/0V0.svg) | 0V0 | Name: | (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium | Formula: | C21 H21 N2 O2 | SMILES: | O(c3c(ccc(OCC#Cc1cc2c(cc1)ccnc2)c3)C[NH3+])CC | InChi: | InChI=1S/C21H20N2O2/c1-2-24-21-13-20(8-7-18(21)14-22)25-11-3-4-16-5-6-17-9-10-23-15-19(17)12-16/h5-10,12-13,15H,2,11,14,22H2,1H3/p+1 | Definition date: | 2014-05-21 | Last modified: | 2014-10-17 | Release date: | 2014-10-22 | Identifier: | (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium |
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![1TT 1TT](https://data.pdbj.org/pdbjplus/data/cc/svg/1TT.svg) | 1TT | Name: | (8S)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-4-one | Formula: | C19 H23 Cl F3 N5 O2 | SMILES: | FC(F)(F)C3N(C2N=C(N1C(COCC1)C)CC(=O)N2CC3)Cc4cc(Cl)cnc4 | InChi: | InChI=1S/C19H23ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6,8-9,12,15,18H,2-5,7,10-11H2,1H3/t12-,15+,18+/m1/s1 | Definition date: | 2014-02-14 | Last modified: | 2014-10-17 | Release date: | 2014-10-22 | Identifier: | (8S,9aS)-9-[(5-chloropyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-3,6,7,8,9,9a-hexahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
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![A82 A82](https://data.pdbj.org/pdbjplus/data/cc/svg/A82.svg) | A82 | Name: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid | Formula: | C22 H24 N4 O4 | SMILES: | O=C(O)c1ccccc1NC(C=4C3=NC(N2CCOCC2)=CC(=O)N3C=C(C=4)C)C | InChi: | InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1 | Definition date: | 2014-06-30 | Last modified: | 2014-10-17 | Release date: | 2014-10-22 | Identifier: | 2-({(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)benzoic acid |
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![3J6 3J6](https://data.pdbj.org/pdbjplus/data/cc/svg/3J6.svg) | 3J6 | Name: | (3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one | Formula: | C15 H20 O6 | SMILES: | O=C4C(=CC3OC2C1(OC1)C(CC2O)(C)C3(CO)C4O)C | InChi: | InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1 | Definition date: | 2014-08-22 | Last modified: | 2014-10-17 | Release date: | 2014-10-22 | Identifier: | (3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one |
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![47W 47W](https://data.pdbj.org/pdbjplus/data/cc/svg/47W.svg) | 47W | Name: | 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium | Formula: | C24 H27 N3 O2 | SMILES: | O(c3c(ccc(OCC#Cc1cc2c(cc1)ccnc2)c3)C[NH+]4CC[NH2+]CC4)C | InChi: | InChI=1S/C24H25N3O2/c1-28-24-16-23(7-6-21(24)18-27-12-10-25-11-13-27)29-14-2-3-19-4-5-20-8-9-26-17-22(20)15-19/h4-9,15-17,25H,10-14,18H2,1H3/p+2 | Definition date: | 2014-05-21 | Last modified: | 2014-10-17 | Release date: | 2014-10-22 | Identifier: | 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium |
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![D80 D80](https://data.pdbj.org/pdbjplus/data/cc/svg/D80.svg) | D80 | Name: | 2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine | Formula: | C14 H15 N3 O | SMILES: | n2c1ccccc1c3oc(nc3c2N)CCCC | InChi: | InChI=1S/C14H15N3O/c1-2-3-8-11-17-12-13(18-11)9-6-4-5-7-10(9)16-14(12)15/h4-7H,2-3,8H2,1H3,(H2,15,16) | Definition date: | 2014-05-15 | Last modified: | 2014-10-17 | Release date: | 2014-10-22 | Identifier: | 2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine |
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![UW3 UW3](https://data.pdbj.org/pdbjplus/data/cc/svg/UW3.svg) | UW3 | Name: | 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide | Formula: | C23 H27 N5 O2 | SMILES: | O=C(c1c(N)n(nc1c3cc4ccc(OC2CCC2)cc4nc3)C5CCCCC5)N | InChi: | InChI=1S/C23H27N5O2/c24-22-20(23(25)29)21(27-28(22)16-5-2-1-3-6-16)15-11-14-9-10-18(12-19(14)26-13-15)30-17-7-4-8-17/h9-13,16-17H,1-8,24H2,(H2,25,29) | Definition date: | 2014-09-22 | Last modified: | 2014-10-10 | Release date: | 2014-10-15 | Identifier: | 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide |
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![32X 32X](https://data.pdbj.org/pdbjplus/data/cc/svg/32X.svg) | 32X | Name: | 5-aminoisoquinolin-1(4H)-one | Formula: | C9 H8 N2 O | SMILES: | O=C2N=CCc1c2cccc1N | InChi: | InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3,5H,4,10H2 | Definition date: | 2014-06-02 | Last modified: | 2014-10-10 | Release date: | 2014-10-15 | Identifier: | 5-aminoisoquinolin-1(4H)-one |
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![1S8 1S8](https://data.pdbj.org/pdbjplus/data/cc/svg/1S8.svg) | 1S8 | Name: | N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide | Formula: | C29 H24 N4 O3 | SMILES: | O=C(c1ccccc1)Nc2ccc(cc2)Nc4nc(nc3c4cc(OC)c(O)c3)Cc5ccccc5 | InChi: | InChI=1S/C29H24N4O3/c1-36-26-17-23-24(18-25(26)34)32-27(16-19-8-4-2-5-9-19)33-28(23)30-21-12-14-22(15-13-21)31-29(35)20-10-6-3-7-11-20/h2-15,17-18,34H,16H2,1H3,(H,31,35)(H,30,32,33) | Definition date: | 2013-05-17 | Last modified: | 2014-10-10 | Release date: | 2014-10-15 | Identifier: | N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide |
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