General Information of the Compound
Compound ID
CP0073977
Compound Name
3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-c]pyridine
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Structure
Formula
C12H10N4
Molecular Weight
210.24
Canonical SMILES
Cc1nccc(n1)-c1c[nH]c2cnccc12
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InChI
InChI=1S/C12H10N4/c1-8-14-5-3-11(16-8)10-6-15-12-7-13-4-2-9(10)12/h2-7,15H,1H3
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InChIKey
VAXXXDBEUYQWBN-UHFFFAOYSA-N
Physicochemical Property
logP
2.32832
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 118735337
ChEMBL ID
CHEMBL3421979
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 = 38379 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 = 3069 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 17 nM