General Information of the Compound
| Compound ID |
CP0946906
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| Compound Name |
5-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-pyridine-2-carboxylic acid dimethylamide; Dihydrochloride
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| Structure |
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| Formula |
C33H38Cl6N6O4
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| Molecular Weight |
795.423
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| Canonical SMILES |
Cc1cc(N(C)C)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)nc4)c3Cl)c2n1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C33H34Cl2N6O4.4ClH/c1-20-16-27(39(2)3)22-8-7-9-28(32(22)38-20)45-19-23-24(34)12-14-26(31(23)35)41(6)30(43)18-37-29(42)15-11-21-10-13-25(36-17-21)33(44)40(4)5;;;;/h7-17H,18-19H2,1-6H3,(H,37,42);4*1H/b15-11+;;;;
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| InChIKey |
ZQBXNOQAFLNNHV-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