General Information of the Compound
Compound ID
CP0570826
Compound Name
1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
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Structure
Formula
C20H22N6O2
Molecular Weight
378.436
Canonical SMILES
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2cnccc12
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InChI
InChI=1S/C20H22N6O2/c27-10-2-1-9-24-16-5-7-21-11-15(16)23-19(24)13-25-18-12-22-8-6-17(18)26(20(25)28)14-3-4-14/h5-8,11-12,14,27H,1-4,9-10,13H2
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InChIKey
GZEAVYLQNNPLHG-UHFFFAOYSA-N
Physicochemical Property
logP
2.0984
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
90.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
28

"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: 67991775
ChEMBL ID
CHEMBL4644823
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 = 50.12 nM
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