General Information of the Compound
| Compound ID |
CP0954090
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| Compound Name |
2-Amino-N-(1-(4-(3-(3-((6,7-dimethoxyquinolin-4-yl)oxy)-phenyl)ureido)-2-(trifluoromethyl)phenyl)piperidin-4-yl)-acetamide hydrochloride
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| Structure |
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| Formula |
C32H34ClF3N6O5
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| Molecular Weight |
675.108
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)CN)CC5)c(C(F)(F)F)c4)c3)c2cc1OC.Cl
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| InChI |
InChI=1S/C32H33F3N6O5.ClH/c1-44-28-16-23-25(17-29(28)45-2)37-11-8-27(23)46-22-5-3-4-20(14-22)39-31(43)40-21-6-7-26(24(15-21)32(33,34)35)41-12-9-19(10-13-41)38-30(42)18-36;/h3-8,11,14-17,19H,9-10,12-13,18,36H2,1-2H3,(H,38,42)(H2,39,40,43);1H
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| InChIKey |
VBXIRPCYRMDDIT-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