General Information of the Compound
| Compound ID |
CP0915772
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| Compound Name |
N-(1-(4-(3-(3-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-ureido)-2-(trifluoromethyl)phenyl)piperidin-4-yl)-3,3-dimethylbutanamide
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| Structure |
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| Formula |
C36H40F3N5O5
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| Molecular Weight |
679.74
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)CC(C)(C)C)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C36H40F3N5O5/c1-35(2,3)21-33(45)41-22-12-15-44(16-13-22)29-10-9-24(18-27(29)36(37,38)39)43-34(46)42-23-7-6-8-25(17-23)49-30-11-14-40-28-20-32(48-5)31(47-4)19-26(28)30/h6-11,14,17-20,22H,12-13,15-16,21H2,1-5H3,(H,41,45)(H2,42,43,46)
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| InChIKey |
PBQGMEFFWQRYSB-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