General Information of the Compound
Compound ID
CP0532054
Compound Name
1-(2-methoxyethyl)-3-pyridin-4-ylpyrrolo[2,3-c]pyridine
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Structure
Formula
C15H15N3O
Molecular Weight
253.305
Canonical SMILES
COCCn1cc(-c2ccncc2)c2ccncc12
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InChI
InChI=1S/C15H15N3O/c1-19-9-8-18-11-14(12-2-5-16-6-3-12)13-4-7-17-10-15(13)18/h2-7,10-11H,8-9H2,1H3
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InChIKey
OVRGOPVESVCREL-UHFFFAOYSA-N
Physicochemical Property
logP
2.7447
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
39.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 137654853
ChEMBL ID
CHEMBL4091320
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: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 272 nM
   TI
   LI
   LO
   TS
Protein ID: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 29600 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS