General Information of the Compound
| Compound ID |
CP0966172
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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)-1-methylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C37H41F3N6O5
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| Molecular Weight |
706.766
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)C6CCN(C)CC6)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C37H41F3N6O5/c1-45-15-10-23(11-16-45)35(47)42-24-12-17-46(18-13-24)31-8-7-26(20-29(31)37(38,39)40)44-36(48)43-25-5-4-6-27(19-25)51-32-9-14-41-30-22-34(50-3)33(49-2)21-28(30)32/h4-9,14,19-24H,10-13,15-18H2,1-3H3,(H,42,47)(H2,43,44,48)
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| InChIKey |
JOIDQAQLBSEJPR-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