General Information of the Compound
Compound ID
CP0282146
Compound Name
4-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-2-amine
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Structure
Formula
C11H9N5
Molecular Weight
211.228
Canonical SMILES
Nc1nccc(n1)-n1ccc2cccnc12
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InChI
InChI=1S/C11H9N5/c12-11-14-6-3-9(15-11)16-7-4-8-2-1-5-13-10(8)16/h1-7H,(H2,12,14,15)
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InChIKey
AGKFRSBXJJPUFG-UHFFFAOYSA-N
Physicochemical Property
logP
1.3977
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
69.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 71580742
SID: 163626338
ChEMBL ID
CHEMBL2348170
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: PT00985, Cell division cycle 7-related protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 26700 nM