General Information of the Compound
| Compound ID |
CP0921609
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| Compound Name |
3-[3-({[2,4-Dichloro-3-(4-dimethylamino-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-ureido]-N-pyridin-4-yl-benzamide; Trihydrochloride
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| Structure |
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| Formula |
C35H34Cl3N7O4
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| Molecular Weight |
723.061
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| Canonical SMILES |
Cc1cc(N(C)C)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C(=O)Nc5ccncc5)c4)c3Cl)c2n1.Cl
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| InChI |
InChI=1S/C35H33Cl2N7O4.ClH/c1-21-17-29(43(2)3)25-9-6-10-30(33(25)40-21)48-20-26-27(36)11-12-28(32(26)37)44(4)31(45)19-39-35(47)42-24-8-5-7-22(18-24)34(46)41-23-13-15-38-16-14-23;/h5-18H,19-20H2,1-4H3,(H,38,41,46)(H2,39,42,47);1H
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| InChIKey |
XKKWDCPHWHAKAP-UHFFFAOYSA-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