General Information of the Compound
| Compound ID |
CP0898595
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| Compound Name |
(E)-3-(4-Acetylamino-3-methyl-phenyl)-N-({[2,4-dichloro-3-(4-dimethylamino-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide; Dihydrochloride
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| Structure |
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| Formula |
C34H39Cl6N5O4
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| Molecular Weight |
794.435
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| Canonical SMILES |
CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N(C)C)cc(C)nc34)c2Cl)cc1C.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C34H35Cl2N5O4.4ClH/c1-20-16-23(10-13-27(20)39-22(3)42)11-15-31(43)37-18-32(44)41(6)28-14-12-26(35)25(33(28)36)19-45-30-9-7-8-24-29(40(4)5)17-21(2)38-34(24)30;;;;/h7-17H,18-19H2,1-6H3,(H,37,43)(H,39,42);4*1H/b15-11+;;;;
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| InChIKey |
KBIWECFEMJNXST-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