General Information of the Compound
| Compound ID |
CP0138931
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| Compound Name |
2-(4-phenylanilino)-3H-benzimidazole-5-carbonitrile
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| Structure |
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| Formula |
C20H14N4
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| Molecular Weight |
310.36
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| Canonical SMILES |
N#Cc1ccc2nc(Nc3ccc(cc3)-c3ccccc3)[nH]c2c1
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| InChI |
InChI=1S/C20H14N4/c21-13-14-6-11-18-19(12-14)24-20(23-18)22-17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-12H,(H2,22,23,24)
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| InChIKey |
PIAVBWNWDQQHHF-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