General Information of the Compound
| Compound ID |
CP0957143
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-2-methoxy-N-methyl-benzamide; Dihydrochloride
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| Structure |
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| Formula |
C34H39Cl6N5O5
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| Molecular Weight |
810.434
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N(C)C)cc(C)nc34)c2Cl)cc1OC.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C34H35Cl2N5O5.4ClH/c1-20-16-27(40(3)4)22-8-7-9-28(33(22)39-20)46-19-24-25(35)13-14-26(32(24)36)41(5)31(43)18-38-30(42)15-11-21-10-12-23(34(44)37-2)29(17-21)45-6;;;;/h7-17H,18-19H2,1-6H3,(H,37,44)(H,38,42);4*1H/b15-11+;;;;
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| InChIKey |
ZIPBGWFZQIZHSX-KJSXAQCBSA-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