General Information of the Compound
| Compound ID |
CP0958479
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| Compound Name |
(R)-2-Amino-N-(1-(4-(3-(3-((6,7-dimethoxyquinolin-4-yl)-oxy)phenyl)ureido)-2-(trifluoromethyl)phenyl)piperidin-4-yl)-propanamide hydrochloride
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| Structure |
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| Formula |
C33H36ClF3N6O5
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| Molecular Weight |
689.135
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)[C@H](C)N)CC5)c(C(F)(F)F)c4)c3)c2cc1OC.Cl
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| InChI |
InChI=1S/C33H35F3N6O5.ClH/c1-19(37)31(43)39-20-10-13-42(14-11-20)27-8-7-22(16-25(27)33(34,35)36)41-32(44)40-21-5-4-6-23(15-21)47-28-9-12-38-26-18-30(46-3)29(45-2)17-24(26)28;/h4-9,12,15-20H,10-11,13-14,37H2,1-3H3,(H,39,43)(H2,40,41,44);1H/t19-;/m0./s1
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| InChIKey |
QKDGDEYWFYFSGS-FYZYNONXSA-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