General Information of the Compound
Compound ID
CP0310598
Compound Name
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-c]pyridine
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Structure
Formula
C14H10N4
Molecular Weight
234.262
Canonical SMILES
c1cc2c(ccnc2[nH]1)-c1c[nH]c2cnccc12
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InChI
InChI=1S/C14H10N4/c1-4-15-8-13-10(1)12(7-18-13)9-2-5-16-14-11(9)3-6-17-14/h1-8,18H,(H,16,17)
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InChIKey
OAAPSDVPLURZJC-UHFFFAOYSA-N
Physicochemical Property
logP
3.1062
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
57.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 118735339
ChEMBL ID
CHEMBL3421981
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: PT00874, Cyclin-dependent kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 314 nM
   TI
   LI
   LO
   TS
Protein ID: PT01056, Dual specificity tyrosine-phosphorylation-regulated kinase 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 378 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3 nM