General Information of the Compound
Compound ID
CP0282036
Compound Name
2-(4-(Imidazo[1,2-a]pyridin-2-yl)phenyl)-1H-benzo[d]imidazole-4-carboxamide
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Structure
Formula
C21H15N5O
Molecular Weight
353.385
Canonical SMILES
NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cn2ccccc2n1
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InChI
InChI=1S/C21H15N5O/c22-20(27)15-4-3-5-16-19(15)25-21(24-16)14-9-7-13(8-10-14)17-12-26-11-2-1-6-18(26)23-17/h1-12H,(H2,22,27)(H,24,25)
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InChIKey
PFOGOBQDGBABTC-UHFFFAOYSA-N
Physicochemical Property
logP
3.6435
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
89.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 44542060
SID: 87223838
ChEMBL ID
CHEMBL578397
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 = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.9 nM