![QLN QLN](https://data.pdbj.org/pdbjplus/data/cc/svg/QLN.svg) | QLN | Name: | 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid | Formula: | C25 H16 N2 O3 | SMILES: | OC(=O)c1cccc(c1)N2C(=O)c3ccccc3N=C2C=Cc4ccc(cc4)C#C | InChi: | InChI=1S/C25H16N2O3/c1-2-17-10-12-18(13-11-17)14-15-23-26-22-9-4-3-8-21(22)24(28)27(23)20-7-5-6-19(16-20)25(29)30/h1,3-16H,(H,29,30)/b15-14+ | Definition date: | 2018-12-18 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid |
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![HLH HLH](https://data.pdbj.org/pdbjplus/data/cc/svg/HLH.svg) | HLH | Name: | 2-heptyl-1~{H}-quinolin-4-one | Formula: | C16 H21 N O | SMILES: | CCCCCCCC1=CC(=O)c2ccccc2N1 | InChi: | InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18) | Definition date: | 2018-12-13 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 2-heptyl-1~{H}-quinolin-4-one |
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![KDS KDS](https://data.pdbj.org/pdbjplus/data/cc/svg/KDS.svg) | KDS | Name: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide | Formula: | C23 H22 F3 N3 O2 | SMILES: | c4c(ccc(NC(=O)N1CCC(CC1)Cc3cnc2ccccc2c3)c4)OC(F)(F)F | InChi: | InChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-5-19(6-8-20)28-22(30)29-11-9-16(10-12-29)13-17-14-18-3-1-2-4-21(18)27-15-17/h1-8,14-16H,9-13H2,(H,28,30) | Definition date: | 2018-11-26 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide |
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![QL7 QL7](https://data.pdbj.org/pdbjplus/data/cc/svg/QL7.svg) | QL7 | Name: | N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Formula: | C24 H27 F N6 O4 | SMILES: | C(F)(C(C)(C)O)CN1Cc2c(C1=O)cc(c(c2)NC(=O)c3cnn4c3nccc4)N5CCOCC5 | InChi: | InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)14-30-13-15-10-18(19(11-16(15)23(30)33)29-6-8-35-9-7-29)28-22(32)17-12-27-31-5-3-4-26-21(17)31/h3-5,10-12,20,34H,6-9,13-14H2,1-2H3,(H,28,32)/t20-/m1/s1 | Definition date: | 2019-11-13 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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![G3J G3J](https://data.pdbj.org/pdbjplus/data/cc/svg/G3J.svg) | G3J | Name: | 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one | Formula: | C21 H21 Cl N4 O | SMILES: | n1nccc1c3cc4C(Nc2c(cccc2)Cl)CC(C)N(C(C)=O)c4cc3 | InChi: | InChI=1S/C21H21ClN4O/c1-13-11-20(24-19-6-4-3-5-17(19)22)16-12-15(18-9-10-23-25-18)7-8-21(16)26(13)14(2)27/h3-10,12-13,20,24H,11H2,1-2H3,(H,23,25)/t13-,20+/m0/s1 | Definition date: | 2018-05-03 | Last modified: | 2019-11-08 | Release date: | 2019-11-13 | Identifier: | 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one |
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![G7V G7V](https://data.pdbj.org/pdbjplus/data/cc/svg/G7V.svg) | G7V | Name: | 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile | Formula: | C22 H21 N5 O | SMILES: | c1c(nnc1)c4cc3C(Nc2ccc(C#N)cc2)CC(C)N(C(C)=O)c3cc4 | InChi: | InChI=1S/C22H21N5O/c1-14-11-21(25-18-6-3-16(13-23)4-7-18)19-12-17(20-9-10-24-26-20)5-8-22(19)27(14)15(2)28/h3-10,12,14,21,25H,11H2,1-2H3,(H,24,26)/t14-,21+/m0/s1 | Definition date: | 2018-05-14 | Last modified: | 2019-11-08 | Release date: | 2019-11-13 | Identifier: | 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile |
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![KB4 KB4](https://data.pdbj.org/pdbjplus/data/cc/svg/KB4.svg) | KB4 | Name: | 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one | Formula: | C16 H12 Cl N5 O2 | SMILES: | n4c1cccnc1c(N2c3c(NC(=O)C2)cc(OC)cc3)nc4Cl | InChi: | InChI=1S/C16H12ClN5O2/c1-24-9-4-5-12-11(7-9)19-13(23)8-22(12)15-14-10(3-2-6-18-14)20-16(17)21-15/h2-7H,8H2,1H3,(H,19,23) | Definition date: | 2018-11-19 | Last modified: | 2019-11-08 | Release date: | 2019-11-13 | Identifier: | 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
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![K7D K7D](https://data.pdbj.org/pdbjplus/data/cc/svg/K7D.svg) | K7D | Name: | 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid | Formula: | C16 H11 N O3 | SMILES: | c3c(c1cccc2c1NC=C(C(=O)O)C2=O)cccc3 | InChi: | InChI=1S/C16H11NO3/c18-15-12-8-4-7-11(10-5-2-1-3-6-10)14(12)17-9-13(15)16(19)20/h1-9H,(H,17,18)(H,19,20) | Definition date: | 2018-11-05 | Last modified: | 2019-11-01 | Release date: | 2019-11-06 | Identifier: | 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid |
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![063 063](https://data.pdbj.org/pdbjplus/data/cc/svg/063.svg) | 063 | Name: | 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid | Formula: | C53 H69 F N8 O13 S | SMILES: | N1CCc5c(C1(CC(Nc2nccs2)=O)C)cc(Oc4ccc(c3ccc(C(=O)O)cc3)c(F)c4)c(OCCOCCNC(=O)C(NC(OC(C)(C)C)=O)CCCN/C(=N/C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)c5 | InChi: | InChI=1S/C53H69FN8O13S/c1-50(2,3)73-47(67)59-39(12-11-20-56-45(61-48(68)74-51(4,5)6)62-49(69)75-52(7,8)9)43(64)55-22-24-70-25-26-71-40-28-34-19-21-58-53(10,31-42(63)60-46-57-23-27-76-46)37(34)30-41(40)72-35-17-18-36(38(54)29-35)32-13-15-33(16-14-32)44(65)66/h13-18,23,27-30,39,58H,11-12,19-22,24-26,31H2,1-10H3,(H,55,64)(H,59,67)(H,65,66)(H,57,60,63)(H2,56,61,62,68,69)/t39-,53+/m0/s1 | Definition date: | 2019-08-20 | Last modified: | 2019-11-01 | Release date: | 2019-11-06 | Identifier: | 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid |
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![PUV PUV](https://data.pdbj.org/pdbjplus/data/cc/svg/PUV.svg) | PUV | Name: | 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid | Formula: | C23 H22 F N3 O5 S | SMILES: | c1cc(cc(c1C(O)=O)F)Oc2cc3c(cc2OC)CCNC3(C)CC(Nc4nccs4)=O | InChi: | InChI=1S/C23H22FN3O5S/c1-23(12-20(28)27-22-25-7-8-33-22)16-11-19(18(31-2)9-13(16)5-6-26-23)32-14-3-4-15(21(29)30)17(24)10-14/h3-4,7-11,26H,5-6,12H2,1-2H3,(H,29,30)(H,25,27,28)/t23-/m1/s1 | Definition date: | 2019-08-26 | Last modified: | 2019-11-01 | Release date: | 2019-11-06 | Identifier: | 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid |
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![PV7 PV7](https://data.pdbj.org/pdbjplus/data/cc/svg/PV7.svg) | PV7 | Name: | 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid | Formula: | C23 H23 N3 O5 S | SMILES: | c1c3c(cc(OC)c1Oc2ccc(C(O)=O)cc2)CCNC3(C)CC(Nc4nccs4)=O | InChi: | InChI=1S/C23H23N3O5S/c1-23(13-20(27)26-22-24-9-10-32-22)17-12-19(18(30-2)11-15(17)7-8-25-23)31-16-5-3-14(4-6-16)21(28)29/h3-6,9-12,25H,7-8,13H2,1-2H3,(H,28,29)(H,24,26,27)/t23-/m1/s1 | Definition date: | 2019-08-26 | Last modified: | 2019-11-01 | Release date: | 2019-11-06 | Identifier: | 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid |
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![PVJ PVJ](https://data.pdbj.org/pdbjplus/data/cc/svg/PVJ.svg) | PVJ | Name: | 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid | Formula: | C28 H30 F N3 O6 S | SMILES: | N1CCc4c(C1(C)CC(Nc2nccs2)=O)cc(c(OCC3CCCCO3)c4)Oc5cc(c(cc5)C(O)=O)F | InChi: | InChI=1S/C28H30FN3O6S/c1-28(15-25(33)32-27-30-9-11-39-27)21-14-24(38-18-5-6-20(26(34)35)22(29)13-18)23(12-17(21)7-8-31-28)37-16-19-4-2-3-10-36-19/h5-6,9,11-14,19,31H,2-4,7-8,10,15-16H2,1H3,(H,34,35)(H,30,32,33)/t19-,28+/m0/s1 | Definition date: | 2019-08-26 | Last modified: | 2019-11-01 | Release date: | 2019-11-06 | Identifier: | 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid |
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![PVM PVM](https://data.pdbj.org/pdbjplus/data/cc/svg/PVM.svg) | PVM | Name: | 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid | Formula: | C38 H35 F N8 O7 S | SMILES: | N7C(C)(CC(Nc1nccs1)=O)c6cc(Oc2cc(c(cc2)C(=O)O)F)c(OCCn5cc(C3=NN(C(C(=C3)C)=O)c4ccc(cc4)OC)nn5)cc6CC7 | InChi: | InChI=1S/C38H35FN8O7S/c1-22-16-30(44-47(35(22)49)24-4-6-25(52-3)7-5-24)31-21-46(45-43-31)13-14-53-32-17-23-10-11-41-38(2,20-34(48)42-37-40-12-15-55-37)28(23)19-33(32)54-26-8-9-27(36(50)51)29(39)18-26/h4-9,12,15-19,21,41H,10-11,13-14,20H2,1-3H3,(H,50,51)(H,40,42,48)/t38-/m1/s1 | Definition date: | 2019-08-26 | Last modified: | 2019-11-01 | Release date: | 2019-11-06 | Identifier: | 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid |
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![PVV PVV](https://data.pdbj.org/pdbjplus/data/cc/svg/PVV.svg) | PVV | Name: | 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide | Formula: | C17 H21 N3 O3 S | SMILES: | c32c(C(CC(Nc1nccs1)=O)(C)NCC2)cc(c(c3)OC)OC | InChi: | InChI=1S/C17H21N3O3S/c1-17(10-15(21)20-16-18-6-7-24-16)12-9-14(23-3)13(22-2)8-11(12)4-5-19-17/h6-9,19H,4-5,10H2,1-3H3,(H,18,20,21)/t17-/m1/s1 | Definition date: | 2019-08-26 | Last modified: | 2019-11-01 | Release date: | 2019-11-06 | Identifier: | 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide |
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![K1H K1H](https://data.pdbj.org/pdbjplus/data/cc/svg/K1H.svg) | K1H | Name: | methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate | Formula: | C21 H26 N6 O2 | SMILES: | COC(=O)N1CCN(CC1)[CH]2CC[CH](CC2)Nc3ncnc4ccc(cc34)C#N | InChi: | InChI=1S/C21H26N6O2/c1-29-21(28)27-10-8-26(9-11-27)17-5-3-16(4-6-17)25-20-18-12-15(13-22)2-7-19(18)23-14-24-20/h2,7,12,14,16-17H,3-6,8-11H2,1H3,(H,23,24,25)/t16-,17- | Definition date: | 2019-04-15 | Last modified: | 2019-10-25 | Release date: | 2019-10-30 | Identifier: | methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate |
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![L5H L5H](https://data.pdbj.org/pdbjplus/data/cc/svg/L5H.svg) | L5H | Name: | ~{N}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]benzamide | Formula: | C19 H12 F3 N5 O3 | SMILES: | FC(F)(F)c1cc2NC(=O)C(=O)N(NC(=O)c3ccccc3)c2cc1n4ccnc4 | InChi: | InChI=1S/C19H12F3N5O3/c20-19(21,22)12-8-13-15(9-14(12)26-7-6-23-10-26)27(18(30)17(29)24-13)25-16(28)11-4-2-1-3-5-11/h1-10H,(H,24,29)(H,25,28) | Definition date: | 2019-07-22 | Last modified: | 2019-10-25 | Release date: | 2019-10-30 | Identifier: | ~{N}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]benzamide |
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![GWQ GWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/GWQ.svg) | GWQ | Name: | Ruthenium (bis-(phenanthroline)) (11-cyano-dipyridophenazine) | Formula: | C43 H25 N9 Ru | SMILES: | N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru-4]578([n+]9cccc%10ccc%11ccc[n+]7c%11c9%10)[n+]%12cccc%13ccc%14ccc[n+]8c%14c%12%13)c3nc2c1 | InChi: | InChI=1S/C19H9N5.2C12H8N2.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16 | Definition date: | 2018-10-12 | Last modified: | 2019-10-25 | Release date: | 2019-10-30 |
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![9SF 9SF](https://data.pdbj.org/pdbjplus/data/cc/svg/9SF.svg) | 9SF | Name: | 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one | Formula: | C16 H19 N3 O3 | SMILES: | N=2c1ccccc1C(N(C=2)CC(=O)CC3NCCCC3O)=O | InChi: | InChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2/t14-,15+/m1/s1 | Definition date: | 2018-07-17 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one |
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![EI9 EI9](https://data.pdbj.org/pdbjplus/data/cc/svg/EI9.svg) | EI9 | Name: | 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride | Formula: | C21 H16 F N3 O5 S2 | SMILES: | C1(=O)NC=Cc2c1cc(cc2)N(Cc3ccncc3)S(c4cccc(c4)S(=O)(=O)F)(=O)=O | InChi: | InChI=1S/C21H16FN3O5S2/c22-31(27,28)18-2-1-3-19(13-18)32(29,30)25(14-15-6-9-23-10-7-15)17-5-4-16-8-11-24-21(26)20(16)12-17/h1-13H,14H2,(H,24,26) | Definition date: | 2019-08-20 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride |
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![DN0 DN0](https://data.pdbj.org/pdbjplus/data/cc/svg/DN0.svg) | DN0 | Name: | 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide | Formula: | C26 H29 N3 O3 | SMILES: | O=C(Cc1ccc(cn1)c2ccc(OCCN3CCOCC3)cc2)NCc4ccccc4 | InChi: | InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30) | Definition date: | 2019-08-15 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide |
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![AH3 AH3](https://data.pdbj.org/pdbjplus/data/cc/svg/AH3.svg) | AH3 | Name: | 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C13 H17 N O3 | SMILES: | c2c1c(CCN(C1)C=O)cc(c2OCC)OC | InChi: | InChI=1S/C13H17NO3/c1-3-17-13-7-11-8-14(9-15)5-4-10(11)6-12(13)16-2/h6-7,9H,3-5,8H2,1-2H3 | Definition date: | 2018-11-01 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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![AH6 AH6](https://data.pdbj.org/pdbjplus/data/cc/svg/AH6.svg) | AH6 | Name: | 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C13 H17 N O3 | SMILES: | c2c1CN(CCc1cc(c2OC)OCC)C=O | InChi: | InChI=1S/C13H17NO3/c1-3-17-13-6-10-4-5-14(9-15)8-11(10)7-12(13)16-2/h6-7,9H,3-5,8H2,1-2H3 | Definition date: | 2018-11-01 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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![AH9 AH9](https://data.pdbj.org/pdbjplus/data/cc/svg/AH9.svg) | AH9 | Name: | 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C12 H15 N O3 | SMILES: | c2c1CN(CCc1cc(c2OC)OC)C=O | InChi: | InChI=1S/C12H15NO3/c1-15-11-5-9-3-4-13(8-14)7-10(9)6-12(11)16-2/h5-6,8H,3-4,7H2,1-2H3 | Definition date: | 2018-11-02 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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![AJL AJL](https://data.pdbj.org/pdbjplus/data/cc/svg/AJL.svg) | AJL | Name: | (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C21 H22 N2 O3 | SMILES: | c2c1C(N(CCc1cc(c2OC)OC)C=O)Cc3cnc4ccccc34 | InChi: | InChI=1S/C21H22N2O3/c1-25-20-10-14-7-8-23(13-24)19(17(14)11-21(20)26-2)9-15-12-22-18-6-4-3-5-16(15)18/h3-6,10-13,19,22H,7-9H2,1-2H3/t19-/m0/s1 | Definition date: | 2018-11-03 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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![AJX AJX](https://data.pdbj.org/pdbjplus/data/cc/svg/AJX.svg) | AJX | Name: | (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C23 H26 N2 O3 | SMILES: | c4c3C(CCCc1cnc2ccccc12)N(CCc3cc(c4OC)OC)C=O | InChi: | InChI=1S/C23H26N2O3/c1-27-22-12-16-10-11-25(15-26)21(19(16)13-23(22)28-2)9-5-6-17-14-24-20-8-4-3-7-18(17)20/h3-4,7-8,12-15,21,24H,5-6,9-11H2,1-2H3/t21-/m0/s1 | Definition date: | 2018-11-08 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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