General Information of the Compound
| Compound ID |
CP0558625
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| Compound Name |
4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]benzonitrile
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| Structure |
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| Formula |
C12H8F3N3
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| Molecular Weight |
251.211
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| Canonical SMILES |
Cn1ncc(c1C(F)(F)F)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C12H8F3N3/c1-18-11(12(13,14)15)10(7-17-18)9-4-2-8(6-16)3-5-9/h2-5,7H,1H3
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| InChIKey |
LJQBFGSVLRIJMN-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial