General Information of the Compound
Compound ID
CP0075200
Compound Name
2-(4-Piperidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide
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Structure
Formula
C19H20N4O
Molecular Weight
320.396
Canonical SMILES
NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCNC1
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InChI
InChI=1S/C19H20N4O/c20-18(24)15-4-1-5-16-17(15)23-19(22-16)13-8-6-12(7-9-13)14-3-2-10-21-11-14/h1,4-9,14,21H,2-3,10-11H2,(H2,20,24)(H,22,23)
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InChIKey
RJIYGYHNEKRSTG-UHFFFAOYSA-N
Physicochemical Property
logP
2.7958
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
83.8
Hydrogen Bond Donor Count
3
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: 16665470
SID: 26525520
ChEMBL ID
CHEMBL1092691
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 = 21 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3 nM