General Information of the Compound
| Compound ID |
CP0948151
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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)methanesulfonamide
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| Structure |
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| Formula |
C31H32F3N5O6S
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| Molecular Weight |
659.687
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NS(C)(=O)=O)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C31H32F3N5O6S/c1-43-28-17-23-25(18-29(28)44-2)35-12-9-27(23)45-22-6-4-5-20(15-22)36-30(40)37-21-7-8-26(24(16-21)31(32,33)34)39-13-10-19(11-14-39)38-46(3,41)42/h4-9,12,15-19,38H,10-11,13-14H2,1-3H3,(H2,36,37,40)
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| InChIKey |
DHUCXMDEWYJPHI-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