General Information of the Compound
| Compound ID |
CP0491365
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| Compound Name |
5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridine-3-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 |
Fc1cc2nc(-c3cncc(c3)C#N)n(C3CC3)c2cc1F
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| InChI |
InChI=1S/C16H10F2N4/c17-12-4-14-15(5-13(12)18)22(11-1-2-11)16(21-14)10-3-9(6-19)7-20-8-10/h3-5,7-8,11H,1-2H2
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| InChIKey |
DSQMEVUTTCTUSD-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