General Information of the Compound
| Compound ID |
CP0869654
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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)nicotinamide
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| Structure |
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| Formula |
C36H33F3N6O5
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| Molecular Weight |
686.691
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)c6cccnc6)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C36H33F3N6O5/c1-48-32-19-27-29(20-33(32)49-2)41-14-10-31(27)50-26-7-3-6-24(17-26)43-35(47)44-25-8-9-30(28(18-25)36(37,38)39)45-15-11-23(12-16-45)42-34(46)22-5-4-13-40-21-22/h3-10,13-14,17-21,23H,11-12,15-16H2,1-2H3,(H,42,46)(H2,43,44,47)
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| InChIKey |
NCXHROHESJNHRM-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