General Information of the Compound
| Compound ID |
CP0966173
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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)methyl)-3-(1-methylpiperidin-2-yl)propanamide
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| Structure |
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| Formula |
C40H47F3N6O5
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| Molecular Weight |
748.847
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(CNC(=O)CCC6CCCCN6C)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C40H47F3N6O5/c1-48-18-5-4-8-29(48)11-13-38(50)45-25-26-15-19-49(20-16-26)34-12-10-28(22-32(34)40(41,42)43)47-39(51)46-27-7-6-9-30(21-27)54-35-14-17-44-33-24-37(53-3)36(52-2)23-31(33)35/h6-7,9-10,12,14,17,21-24,26,29H,4-5,8,11,13,15-16,18-20,25H2,1-3H3,(H,45,50)(H2,46,47,51)
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| InChIKey |
KQOATJYBGGNPCC-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