General Information of the Compound
| Compound ID |
CP0954088
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| Compound Name |
1-(Cyclopropanecarbonyl)-N-(1-(4-(3-(3-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)ureido)-2-(trifluoromethyl)phenyl)-piperidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C40H43F3N6O6
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| Molecular Weight |
760.814
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)C6CCN(C(=O)C7CC7)CC6)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C40H43F3N6O6/c1-53-35-22-30-32(23-36(35)54-2)44-15-10-34(30)55-29-5-3-4-27(20-29)46-39(52)47-28-8-9-33(31(21-28)40(41,42)43)48-18-13-26(14-19-48)45-37(50)24-11-16-49(17-12-24)38(51)25-6-7-25/h3-5,8-10,15,20-26H,6-7,11-14,16-19H2,1-2H3,(H,45,50)(H2,46,47,52)
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| InChIKey |
ZBQURRXLAWJHCI-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