General Information of the Compound
Compound ID
CP0570214
Compound Name
6-chloro-2-pyrrolo[3,2-d]pyrimidin-5-ylpyridine-3-carbonitrile
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Formula
C12H6ClN5
Molecular Weight
255.668
Canonical SMILES
Clc1ccc(C#N)c(n1)-n1ccc2ncncc12
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InChI
InChI=1S/C12H6ClN5/c13-11-2-1-8(5-14)12(17-11)18-4-3-9-10(18)6-15-7-16-9/h1-4,6-7H
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InChIKey
AFZXKZNWMHCMPD-UHFFFAOYSA-N
Physicochemical Property
logP
2.34058
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
67.39
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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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ChEMBL ID
CHEMBL5184056
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: PT01227, Ribosomal protein S6 kinase alpha-4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 19.95 nM
   TI
   LI
   LO
   TS
Protein ID: PT00944, Ribosomal protein S6 kinase alpha-5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 12.59 nM
   TI
   LI
   LO
   TS