General Information of the Compound
| Compound ID |
CP0954089
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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)cyclohex-1-ene-1-carboxamide
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| Structure |
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| Formula |
C37H38F3N5O5
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| Molecular Weight |
689.735
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)C6=CCCCC6)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C37H38F3N5O5/c1-48-33-21-28-30(22-34(33)49-2)41-16-13-32(28)50-27-10-6-9-25(19-27)43-36(47)44-26-11-12-31(29(20-26)37(38,39)40)45-17-14-24(15-18-45)42-35(46)23-7-4-3-5-8-23/h6-7,9-13,16,19-22,24H,3-5,8,14-15,17-18H2,1-2H3,(H,42,46)(H2,43,44,47)
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| InChIKey |
BOOBJVWYFUZJEQ-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