General Information of the Compound
| Compound ID |
CP0855339
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-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 |
C36H41Cl6N5O4
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| Molecular Weight |
820.473
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CCCCC5)cc(C)nc34)c2Cl)cc1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C36H37Cl2N5O4.4ClH/c1-23-20-30(43-18-5-4-6-19-43)26-8-7-9-31(35(26)41-23)47-22-27-28(37)15-16-29(34(27)38)42(3)33(45)21-40-32(44)17-12-24-10-13-25(14-11-24)36(46)39-2;;;;/h7-17,20H,4-6,18-19,21-22H2,1-3H3,(H,39,46)(H,40,44);4*1H/b17-12+;;;;
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| InChIKey |
RALOUEPKRVCVEA-MQUAOMDISA-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