General Information of the Compound
| Compound ID |
CP0491363
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| Compound Name |
1-tert-butyl-6-fluoro-2-pyridin-3-ylbenzimidazole
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| Structure |
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| Formula |
C16H16FN3
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| Molecular Weight |
269.323
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| Canonical SMILES |
CC(C)(C)n1c(nc2ccc(F)cc12)-c1cccnc1
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| InChI |
InChI=1S/C16H16FN3/c1-16(2,3)20-14-9-12(17)6-7-13(14)19-15(20)11-5-4-8-18-10-11/h4-10H,1-3H3
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| InChIKey |
CIYVNVQSMFMINZ-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