General Information of the Compound
Compound ID
CP0532052
Compound Name
1-(cyclopropylmethyl)-3-pyridin-4-ylpyrrolo[2,3-c]pyridine
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Structure
Formula
C16H15N3
Molecular Weight
249.317
Canonical SMILES
C(C1CC1)n1cc(-c2ccncc2)c2ccncc12
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InChI
InChI=1S/C16H15N3/c1-2-12(1)10-19-11-15(13-3-6-17-7-4-13)14-5-8-18-9-16(14)19/h3-9,11-12H,1-2,10H2
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InChIKey
ZMRXFXMRTUPKEB-UHFFFAOYSA-N
Physicochemical Property
logP
3.5083
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 156021444
ChEMBL ID
CHEMBL4648945
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 = 109 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 > 8300 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 = 15500 nM
   TI
   LI
   LO
   TS