General Information of the Compound
Compound ID
CP0561669
Compound Name
7-methoxy-1-propyl-2-(pyridine-2-carbonylamino)benzimidazole-5-carboxamide
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Structure
Formula
C18H19N5O3
Molecular Weight
353.382
Canonical SMILES
CCCn1c(NC(=O)c2ccccn2)nc2cc(cc(OC)c12)C(N)=O
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InChI
InChI=1S/C18H19N5O3/c1-3-8-23-15-13(9-11(16(19)24)10-14(15)26-2)21-18(23)22-17(25)12-6-4-5-7-20-12/h4-7,9-10H,3,8H2,1-2H3,(H2,19,24)(H,21,22,25)
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InChIKey
PZYIDZYZMAFGSF-UHFFFAOYSA-N
Physicochemical Property
logP
2.2011
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
112.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 155515232
ChEMBL ID
CHEMBL4441427
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: PT03644, Stimulator of interferon genes protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS