General Information of the Compound
Compound ID
CP0574832
Compound Name
1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
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Structure
Formula
C22H24N4O3S
Molecular Weight
424.526
Canonical SMILES
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2ccccc12
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InChI
InChI=1S/C22H24N4O3S/c1-30(28,29)12-4-11-24-18(13-16-5-2-3-6-19(16)24)15-25-21-14-23-10-9-20(21)26(22(25)27)17-7-8-17/h2-3,5-6,9-10,13-14,17H,4,7-8,11-12,15H2,1H3
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InChIKey
HXYJPFDCOWRCOF-UHFFFAOYSA-N
Physicochemical Property
logP
2.9706
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
78.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 156016826
ChEMBL ID
CHEMBL4643019
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: PT00459, Fusion glycoprotein F0
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 10 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
CC50 > 100000 nM
   TI
   LI
   LO
   TS