General Information of the Compound
| Compound ID |
CP0878928
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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)-cyclopropanesulfonamide
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| Structure |
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| Formula |
C33H34F3N5O6S
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| Molecular Weight |
685.725
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NS(=O)(=O)C6CC6)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C33H34F3N5O6S/c1-45-30-18-25-27(19-31(30)46-2)37-13-10-29(25)47-23-5-3-4-21(16-23)38-32(42)39-22-6-9-28(26(17-22)33(34,35)36)41-14-11-20(12-15-41)40-48(43,44)24-7-8-24/h3-6,9-10,13,16-20,24,40H,7-8,11-12,14-15H2,1-2H3,(H2,38,39,42)
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| InChIKey |
XSEYQMNPLXKIRC-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