General Information of the Compound
| Compound ID |
CP0420139
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| Compound Name |
3-cyclopropyl-2-pyridin-3-ylbenzimidazole-5-carbonitrile
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| Structure |
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| Formula |
C16H12N4
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| Molecular Weight |
260.3
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| Canonical SMILES |
N#Cc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
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| InChI |
InChI=1S/C16H12N4/c17-9-11-3-6-14-15(8-11)20(13-4-5-13)16(19-14)12-2-1-7-18-10-12/h1-3,6-8,10,13H,4-5H2
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| InChIKey |
CKLZPFFVYAFXEY-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