General Information of the Compound
| Compound ID |
CP0457602
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| Compound Name |
6-fluoro-2-pyridin-3-yl-1-(2,2,2-trifluoroethyl)benzimidazole
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| Structure |
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| Formula |
C14H9F4N3
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| Molecular Weight |
295.239
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| Canonical SMILES |
Fc1ccc2nc(-c3cccnc3)n(CC(F)(F)F)c2c1
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| InChI |
InChI=1S/C14H9F4N3/c15-10-3-4-11-12(6-10)21(8-14(16,17)18)13(20-11)9-2-1-5-19-7-9/h1-7H,8H2
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| InChIKey |
XMYULAQRJPNVOW-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