General Information of the Compound
| Compound ID |
CP0767076
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| Compound Name |
N-[(S)-1-(4-{2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methylpropionyl}piperazine-1-carbonyl)-5-(dimethylamino)pentyl]acetamide
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| Structure |
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| Formula |
C35H46Cl2N6O6S
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| Molecular Weight |
749.762
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| Canonical SMILES |
CC(=O)N[C@@H](CCCCN(C)C)C(=O)N1CCN(C(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)CC1
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| InChI |
InChI=1S/C35H46Cl2N6O6S/c1-23-13-14-25-10-9-12-29(32(25)38-23)49-22-26-27(36)15-16-30(31(26)37)50(47,48)40-35(3,4)34(46)43-20-18-42(19-21-43)33(45)28(39-24(2)44)11-7-8-17-41(5)6/h9-10,12-16,28,40H,7-8,11,17-22H2,1-6H3,(H,39,44)/t28-/m0/s1
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| InChIKey |
PQSMJBIIJKMKNI-NDEPHWFRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound