General Information of the Compound
| Compound ID |
CP0869388
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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)-2-(dimethylamino)acetamide
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| Structure |
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| Formula |
C34H37F3N6O5
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| Molecular Weight |
666.701
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)CN(C)C)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C34H37F3N6O5/c1-42(2)20-32(44)39-21-11-14-43(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(45)40-22-6-5-7-24(16-22)48-29-10-13-38-27-19-31(47-4)30(46-3)18-25(27)29/h5-10,13,16-19,21H,11-12,14-15,20H2,1-4H3,(H,39,44)(H2,40,41,45)
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| InChIKey |
NVNMBZZNXPOMIM-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