General Information of the Compound
| Compound ID |
CP0869389
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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)tetrahydro-2H-pyran-4-carboxamide
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| Structure |
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| Formula |
C36H38F3N5O6
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| Molecular Weight |
693.723
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)C6CCOCC6)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C36H38F3N5O6/c1-47-32-20-27-29(21-33(32)48-2)40-13-8-31(27)50-26-5-3-4-24(18-26)42-35(46)43-25-6-7-30(28(19-25)36(37,38)39)44-14-9-23(10-15-44)41-34(45)22-11-16-49-17-12-22/h3-8,13,18-23H,9-12,14-17H2,1-2H3,(H,41,45)(H2,42,43,46)
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| InChIKey |
WEOSUGPIWGWYIS-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