General Information of the Compound
| Compound ID |
CP0572533
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| Compound Name |
2-(2-chlorophenyl)-N-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]propanamide
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| Formula |
C20H16Cl2F3N3O
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| Molecular Weight |
442.268
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccccc1Cl
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| InChI |
InChI=1S/C20H16Cl2F3N3O/c1-12(16-7-2-3-8-17(16)22)19(29)26-11-15-10-18(20(23,24)25)27-28(15)14-6-4-5-13(21)9-14/h2-10,12H,11H2,1H3,(H,26,29)
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| InChIKey |
MXULHOALKZAEPF-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