General Information of the Compound
Compound ID
CP0067723
Compound Name
2-(biphenyl-4-yl)-1H-benzo[d]imidazole-4-carboxamide
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Structure
Formula
C20H15N3O
Molecular Weight
313.36
Canonical SMILES
NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C20H15N3O/c21-19(24)16-7-4-8-17-18(16)23-20(22-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H2,21,24)(H,22,23)
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InChIKey
YTKLAAYEYWFEIM-UHFFFAOYSA-N
Physicochemical Property
logP
3.9958
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
71.77
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
24

"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).

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PubChem ID
CID: 45484114
ChEMBL ID
CHEMBL578185
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00839, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000337 C-4-I Homo sapiens (Human)  1
1
EC50 = 71 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 710 nM
2 Ki = 2 nM