General Information of the Compound
| Compound ID |
CP0488258
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| Compound Name |
6-chloro-1-cyclopropyl-5-fluoro-2-(5-fluoropyridin-3-yl)benzimidazole
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| Structure |
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| Formula |
C15H10ClF2N3
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| Molecular Weight |
305.715
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| Canonical SMILES |
Fc1cncc(c1)-c1nc2cc(F)c(Cl)cc2n1C1CC1
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| InChI |
InChI=1S/C15H10ClF2N3/c16-11-4-14-13(5-12(11)18)20-15(21(14)10-1-2-10)8-3-9(17)7-19-6-8/h3-7,10H,1-2H2
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| InChIKey |
XYKAFLOPHZEIMS-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