General Information of the Compound
Compound ID
CP0266146
Compound Name
2-(4-(Pyridin-4-yl)phenyl)-1H-benzimidazole-4-carboxamide
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Structure
Formula
C19H14N4O
Molecular Weight
314.348
Canonical SMILES
NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccncc1
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InChI
InChI=1S/C19H14N4O/c20-18(24)15-2-1-3-16-17(15)23-19(22-16)14-6-4-12(5-7-14)13-8-10-21-11-9-13/h1-11H,(H2,20,24)(H,22,23)
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InChIKey
SNSYYJLSJTUZMP-UHFFFAOYSA-N
Physicochemical Property
logP
3.3908
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
84.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 44542066
SID: 87224004
ChEMBL ID
CHEMBL577549
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 = 12 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2 nM
2 Ki = 3.1 nM