General Information of the Compound
| Compound ID |
CP0954091
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| Compound Name |
N-(4-(4-(3-(3-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-ureido)piperidin-1-yl)-3-(trifluoromethyl)phenyl)-propionamide
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| Structure |
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| Formula |
C33H34F3N5O5
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| Molecular Weight |
637.659
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| Canonical SMILES |
CCC(=O)Nc1ccc(N2CCC(NC(=O)Nc3cccc(Oc4ccnc5cc(OC)c(OC)cc45)c3)CC2)c(C(F)(F)F)c1
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| InChI |
InChI=1S/C33H34F3N5O5/c1-4-31(42)38-22-8-9-27(25(17-22)33(34,35)36)41-14-11-20(12-15-41)39-32(43)40-21-6-5-7-23(16-21)46-28-10-13-37-26-19-30(45-3)29(44-2)18-24(26)28/h5-10,13,16-20H,4,11-12,14-15H2,1-3H3,(H,38,42)(H2,39,40,43)
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| InChIKey |
YJZFNTPRYQJVRU-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