General Information of the Compound
| Compound ID |
CP0941738
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| Compound Name |
(E)-3-(4-Acetylamino-phenyl)-N-({[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide hydrochloride
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| Structure |
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| Formula |
C31H29Cl3N4O4
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| Molecular Weight |
627.956
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| Canonical SMILES |
CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1.Cl
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| InChI |
InChI=1S/C31H28Cl2N4O4.ClH/c1-19-7-11-22-5-4-6-27(31(22)35-19)41-18-24-25(32)14-15-26(30(24)33)37(3)29(40)17-34-28(39)16-10-21-8-12-23(13-9-21)36-20(2)38;/h4-16H,17-18H2,1-3H3,(H,34,39)(H,36,38);1H/b16-10+;
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| InChIKey |
OEZSQGWLJRHUDT-QFHYWFJHSA-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