General Information of the Compound
| Compound ID |
CP0550039
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| Compound Name |
1-cyclopropyl-5,6-difluoro-2-[4-(trifluoromethyl)pyridin-3-yl]benzimidazole
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| Structure |
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| Formula |
C16H10F5N3
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| Molecular Weight |
339.267
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| Canonical SMILES |
Fc1cc2nc(-c3cnccc3C(F)(F)F)n(C3CC3)c2cc1F
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| InChI |
InChI=1S/C16H10F5N3/c17-11-5-13-14(6-12(11)18)24(8-1-2-8)15(23-13)9-7-22-4-3-10(9)16(19,20)21/h3-8H,1-2H2
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| InChIKey |
TTYLZHVHCUGXAQ-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