![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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![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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![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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![BVZ BVZ](https://data.pdbj.org/pdbjplus/data/cc/svg/BVZ.svg) | BVZ | Name: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide | Formula: | C21 H25 B N3 O5 S | SMILES: | O[B-](O)(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34 | InChi: | InChI=1S/C21H25BN3O5S/c26-22(27,28)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)31(29,30)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-28H,4,11-14,16H2/q-1 | Definition date: | 2017-10-19 | Last modified: | 2019-10-18 | Release date: | 2018-10-31 | Identifier: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide |
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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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![8HO 8HO](https://data.pdbj.org/pdbjplus/data/cc/svg/8HO.svg) | 8HO | Name: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid | Formula: | C19 H16 N2 O5 | SMILES: | Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12 | InChi: | InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23) | Definition date: | 2017-07-11 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid |
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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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![AK0 AK0](https://data.pdbj.org/pdbjplus/data/cc/svg/AK0.svg) | AK0 | Name: | (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C22 H23 F N2 O3 | SMILES: | c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3ccc(c4)F | InChi: | InChI=1S/C22H23FN2O3/c1-27-21-9-14-7-8-25(13-26)20(18(14)11-22(21)28-2)6-3-15-12-24-19-10-16(23)4-5-17(15)19/h4-5,9-13,20,24H,3,6-8H2,1-2H3/t20-/m0/s1 | Definition date: | 2018-11-08 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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![AKO AKO](https://data.pdbj.org/pdbjplus/data/cc/svg/AKO.svg) | AKO | Name: | (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C23 H26 N2 O3 | SMILES: | c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3ccc(c4)C | InChi: | InChI=1S/C23H26N2O3/c1-15-4-6-18-17(13-24-20(18)10-15)5-7-21-19-12-23(28-3)22(27-2)11-16(19)8-9-25(21)14-26/h4,6,10-14,21,24H,5,7-9H2,1-3H3/t21-/m0/s1 | Definition date: | 2018-11-08 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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![AKU AKU](https://data.pdbj.org/pdbjplus/data/cc/svg/AKU.svg) | AKU | Name: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C22 H24 N2 O3 | SMILES: | c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3cccc4 | InChi: | InChI=1S/C22H24N2O3/c1-26-21-11-15-9-10-24(14-25)20(18(15)12-22(21)27-2)8-7-16-13-23-19-6-4-3-5-17(16)19/h3-6,11-14,20,23H,7-10H2,1-2H3/t20-/m0/s1 | Definition date: | 2018-11-08 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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![EI8 EI8](https://data.pdbj.org/pdbjplus/data/cc/svg/EI8.svg) | EI8 | Name: | 3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride | Formula: | C23 H16 F N3 O5 S2 | SMILES: | C(#N)c1ccc(cc1)CN(c2cc3c(cc2)C=CNC3=O)S(c4cc(S(=O)(=O)F)ccc4)(=O)=O | InChi: | InChI=1S/C23H16FN3O5S2/c24-33(29,30)20-2-1-3-21(13-20)34(31,32)27(15-17-6-4-16(14-25)5-7-17)19-9-8-18-10-11-26-23(28)22(18)12-19/h1-13H,15H2,(H,26,28) | Definition date: | 2019-08-14 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | 3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride |
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![BQ3 BQ3](https://data.pdbj.org/pdbjplus/data/cc/svg/BQ3.svg) | BQ3 | Name: | tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate | Formula: | C14 H20 N2 O2 | SMILES: | C(OC(=O)N1Cc2c(CC1)ccc(N)c2)(C)(C)C | InChi: | InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3 | Definition date: | 2019-02-28 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate |
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![VH0 VH0](https://data.pdbj.org/pdbjplus/data/cc/svg/VH0.svg) | VH0 | Name: | (2S,4S)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid | Formula: | C8 H13 N5 O2 | SMILES: | O=C(O)C2NCC(n1nnc(c1)CN)C2 | InChi: | InChI=1S/C8H13N5O2/c9-2-5-4-13(12-11-5)6-1-7(8(14)15)10-3-6/h4,6-7,10H,1-3,9H2,(H,14,15)/t6-,7-/m0/s1 | Definition date: | 2013-04-23 | Last modified: | 2019-10-07 | Release date: | 2013-05-01 | Identifier: | (4S)-4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-L-proline |
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![RT0 RT0](https://data.pdbj.org/pdbjplus/data/cc/svg/RT0.svg) | RT0 | Name: | (2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid | Formula: | C13 H13 F N4 O2 | SMILES: | O=C(O)C3NCC(n1nnc(c1)c2ccc(F)cc2)C3 | InChi: | InChI=1S/C13H13FN4O2/c14-9-3-1-8(2-4-9)12-7-18(17-16-12)10-5-11(13(19)20)15-6-10/h1-4,7,10-11,15H,5-6H2,(H,19,20)/t10-,11-/m0/s1 | Definition date: | 2013-04-23 | Last modified: | 2019-10-07 | Release date: | 2013-05-01 | Identifier: | (4S)-4-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-L-proline |
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![XZ1 XZ1](https://data.pdbj.org/pdbjplus/data/cc/svg/XZ1.svg) | XZ1 | Name: | 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol | Formula: | C15 H11 Cl F N3 O2 | SMILES: | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O | InChi: | InChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20) | Definition date: | 2019-08-15 | Last modified: | 2019-10-04 | Release date: | 2019-10-09 | Identifier: | 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol |
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![KD7 KD7](https://data.pdbj.org/pdbjplus/data/cc/svg/KD7.svg) | KD7 | Name: | N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide | Formula: | C33 H42 N8 O4 S2 | SMILES: | C(=O)(CCc1ccccc1)NC(C(=O)NC(C(=O)NC(CCCNC(N)=N)C(c2sc3c(n2)cccc3)O)C(C)C)Cc4cscn4 | InChi: | InChI=1S/C33H42N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28-29,43H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/t24-,25-,28-,29-/m0/s1 | Definition date: | 2018-11-20 | Last modified: | 2019-09-27 | Release date: | 2019-10-02 | Identifier: | N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide |
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![KZN KZN](https://data.pdbj.org/pdbjplus/data/cc/svg/KZN.svg) | KZN | Name: | ~{N}-[5-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide | Formula: | C26 H24 N4 O5 S | SMILES: | COc1ccc(cc1NC(=O)CC2=NNC(=O)c3ccccc23)[S](=O)(=O)N4CCc5ccccc5C4 | InChi: | InChI=1S/C26H24N4O5S/c1-35-24-11-10-19(36(33,34)30-13-12-17-6-2-3-7-18(17)16-30)14-23(24)27-25(31)15-22-20-8-4-5-9-21(20)26(32)29-28-22/h2-11,14H,12-13,15-16H2,1H3,(H,27,31)(H,29,32) | Definition date: | 2019-07-08 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | ~{N}-[5-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide |
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![KZT KZT](https://data.pdbj.org/pdbjplus/data/cc/svg/KZT.svg) | KZT | Name: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide | Formula: | C24 H27 N3 O4 S | SMILES: | COc1ccc(cc1NC(=O)Cc2ccnc3ccccc23)[S](=O)(=O)N4CCCCCC4 | InChi: | InChI=1S/C24H27N3O4S/c1-31-23-11-10-19(32(29,30)27-14-6-2-3-7-15-27)17-22(23)26-24(28)16-18-12-13-25-21-9-5-4-8-20(18)21/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,26,28) | Definition date: | 2019-07-08 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide |
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![L0T L0T](https://data.pdbj.org/pdbjplus/data/cc/svg/L0T.svg) | L0T | Name: | 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate | Formula: | C82 H44 N16 O34 S8 | SMILES: | CC(=O)Nc1cccc2c(cc(nc12)C(=O)Nc3cccc4c(cc(nc34)C(=O)Nc5cccc6c(cc(nc56)C(=O)Nc7cccc8c(cc(nc78)C(=O)Nc9cccc%10c(cc(nc9%10)C(=O)Nc%11cccc%12c(cc(nc%11%12)C(=O)Nc%13cccc%14c(cc(nc%13%14)C(=O)Nc%15cccc%16c(cc(nc%15%16)C(O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O | InChi: | InChI=1S/C82H52N16O34S8/c1-34(99)83-43-18-2-10-35-59(133(109,110)111)26-51(84-67(35)43)75(100)92-44-19-3-11-36-60(134(112,113)114)27-52(85-68(36)44)76(101)93-45-20-4-12-37-61(135(115,116)117)28-53(86-69(37)45)77(102)94-46-21-5-13-38-62(136(118,119)120)29-54(87-70(38)46)78(103)95-47-22-6-14-39-63(137(121,122)123)30-55(88-71(39)47)79(104)96-48-23-7-15-40-64(138(124,125)126)31-56(89-72(40)48)80(105)97-49-24-8-16-41-65(139(127,128)129)32-57(90-73(41)49)81(106)98-50-25-9-17-42-66(140(130,131)132)33-58(82(107)108)91-74(42)50/h2-33H,1H3,(H,83,99)(H,92,100)(H,93,101)(H,94,102)(H,95,103)(H,96,104)(H,97,105)(H,98,106)(H,107,108)(H,109,110,111)(H,112,113,114)(H,115,116,117)(H,118,119,120)(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)/p-8 | Definition date: | 2019-07-11 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate |
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![O4Y O4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/O4Y.svg) | O4Y | Name: | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid | Formula: | C11 H10 N2 O3 | SMILES: | CC(C(O)=O)N2C=Nc1c(cccc1)C2=O | InChi: | InChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)/t7-/m1/s1 | Definition date: | 2019-06-11 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid |
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