General Information of the Compound
| Compound ID |
CP0422151
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| Compound Name |
N-[4-[2-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]acetamide
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| Structure |
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| Formula |
C18H13BrF3N3O
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| Molecular Weight |
424.22
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(Br)cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H13BrF3N3O/c1-11(26)23-14-6-2-12(3-7-14)16-10-17(18(20,21)22)24-25(16)15-8-4-13(19)5-9-15/h2-10H,1H3,(H,23,26)
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| InChIKey |
VRYKMXSZGUZHOF-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