General Information of the Compound
| Compound ID |
CP0874525
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| Compound Name |
4-((E)-2-{[({2,4-Dichloro-3-[4-(2-dimethylamino-ethylamino)-2-methyl-quinolin-8-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-carbamoyl}-vinyl)-N-methyl-benzamide; Trihydrochloride
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| Structure |
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| Formula |
C35H39Cl3N6O4
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| Molecular Weight |
714.094
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(NCCN(C)C)cc(C)nc34)c2Cl)cc1.Cl
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| InChI |
InChI=1S/C35H38Cl2N6O4.ClH/c1-22-19-28(39-17-18-42(3)4)25-7-6-8-30(34(25)41-22)47-21-26-27(36)14-15-29(33(26)37)43(5)32(45)20-40-31(44)16-11-23-9-12-24(13-10-23)35(46)38-2;/h6-16,19H,17-18,20-21H2,1-5H3,(H,38,46)(H,39,41)(H,40,44);1H/b16-11+;
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| InChIKey |
NOTBVWWRYIDISY-YFMOEUEHSA-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