General Information of the Compound
| Compound ID |
CP0876835
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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)-3-(piperidin-1-yl)propanamide
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| Structure |
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| Formula |
C38H43F3N6O5
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| Molecular Weight |
720.793
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)CCN6CCCCC6)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C38H43F3N6O5/c1-50-34-23-29-31(24-35(34)51-2)42-15-11-33(29)52-28-8-6-7-26(21-28)44-37(49)45-27-9-10-32(30(22-27)38(39,40)41)47-19-12-25(13-20-47)43-36(48)14-18-46-16-4-3-5-17-46/h6-11,15,21-25H,3-5,12-14,16-20H2,1-2H3,(H,43,48)(H2,44,45,49)
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| InChIKey |
IKEFTIHXSGRYCI-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