General Information of the Compound
| Compound ID |
CP0945300
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| Compound Name |
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-methyl-3-((1-nicotinoylpiperidin-4-yl)oxy)phenyl)urea
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| Structure |
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| Formula |
C26H24ClF3N4O3
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| Molecular Weight |
532.95
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| Canonical SMILES |
Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2cccnc2)CC1
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| InChI |
InChI=1S/C26H24ClF3N4O3/c1-16-4-5-19(33-25(36)32-18-6-7-22(27)21(13-18)26(28,29)30)14-23(16)37-20-8-11-34(12-9-20)24(35)17-3-2-10-31-15-17/h2-7,10,13-15,20H,8-9,11-12H2,1H3,(H2,32,33,36)
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| InChIKey |
QVBMHUNQNZKUSS-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