General Information of the Compound
| Compound ID |
CP0916074
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| Compound Name |
4-{(E)-2-[({[2,4-Dimethyl-3-(2-methyl-4-phenyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide hydrochloride
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| Structure |
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| Formula |
C39H39ClN4O4
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| Molecular Weight |
663.218
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c(-c5ccccc5)cc(C)nc34)c2C)cc1.Cl
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| InChI |
InChI=1S/C39H38N4O4.ClH/c1-25-14-20-34(43(5)37(45)23-41-36(44)21-17-28-15-18-30(19-16-28)39(46)40-4)27(3)33(25)24-47-35-13-9-12-31-32(22-26(2)42-38(31)35)29-10-7-6-8-11-29;/h6-22H,23-24H2,1-5H3,(H,40,46)(H,41,44);1H/b21-17+;
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| InChIKey |
ABPNSOGFLXSOHW-DIRYEVLESA-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