General Information of the Compound
| Compound ID |
CP0931927
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| Compound Name |
4-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(4-methyl-piperazin-1-yl)-quinolin-8-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-carbamoyl}-vinyl)-N-methyl-benzamide; Dihydrochloride
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| Structure |
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| Formula |
C36H42Cl6N6O4
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| Molecular Weight |
835.488
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CCN(C)CC5)cc(C)nc34)c2Cl)cc1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C36H38Cl2N6O4.4ClH/c1-23-20-30(44-18-16-42(3)17-19-44)26-6-5-7-31(35(26)41-23)48-22-27-28(37)13-14-29(34(27)38)43(4)33(46)21-40-32(45)15-10-24-8-11-25(12-9-24)36(47)39-2;;;;/h5-15,20H,16-19,21-22H2,1-4H3,(H,39,47)(H,40,45);4*1H/b15-10+;;;;
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| InChIKey |
YYOGHEATZBZFQR-VYYKFXENSA-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