General Information of the Compound
| Compound ID |
CP0958967
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| Compound Name |
4-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)-N-(cyanomethyl)benzamide
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| Structure |
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| Formula |
C17H12ClF3N2O2
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| Molecular Weight |
368.742
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| Canonical SMILES |
N#CCNC(=O)c1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1
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| InChI |
InChI=1S/C17H12ClF3N2O2/c18-14-9-13(17(19,20)21)5-6-15(14)25-10-11-1-3-12(4-2-11)16(24)23-8-7-22/h1-6,9H,8,10H2,(H,23,24)
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| InChIKey |
KPWIQYKEQLHJLN-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