General Information of the Compound
| Compound ID |
CP0401276
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| Compound Name |
3-cyclopropyl-6-fluoro-2-(5-fluoropyridin-3-yl)benzimidazole-5-carbonitrile
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| Structure |
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| Formula |
C16H10F2N4
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| Molecular Weight |
296.28
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| Canonical SMILES |
Fc1cncc(c1)-c1nc2cc(F)c(cc2n1C1CC1)C#N
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| InChI |
InChI=1S/C16H10F2N4/c17-11-3-10(7-20-8-11)16-21-14-5-13(18)9(6-19)4-15(14)22(16)12-1-2-12/h3-5,7-8,12H,1-2H2
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| InChIKey |
WDGNUPYSACPMRO-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