General Information of the Compound
| Compound ID |
CP0491366
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| Compound Name |
1-cyclopropyl-5,6-difluoro-2-(5-methoxypyridin-3-yl)benzimidazole
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| Structure |
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| Formula |
C16H13F2N3O
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| Molecular Weight |
301.296
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| Canonical SMILES |
COc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
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| InChI |
InChI=1S/C16H13F2N3O/c1-22-11-4-9(7-19-8-11)16-20-14-5-12(17)13(18)6-15(14)21(16)10-2-3-10/h4-8,10H,2-3H2,1H3
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| InChIKey |
CZFXFDLACGPUPW-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