General Information of the Compound
Compound ID
CP0577364
Compound Name
5-(4-chloropyrimidin-2-yl)pyrrolo[3,2-d]pyrimidine
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Structure
Formula
C10H6ClN5
Molecular Weight
231.646
Canonical SMILES
Clc1ccnc(n1)-n1ccc2ncncc12
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InChI
InChI=1S/C10H6ClN5/c11-9-1-3-13-10(15-9)16-4-2-7-8(16)5-12-6-14-7/h1-6H
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InChIKey
LXPVLMCYPWKNBD-UHFFFAOYSA-N
Physicochemical Property
logP
1.8639
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
56.49
Hydrogen Bond Donor Count
0
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: 168279759
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 = 79.43 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 = 10 nM
   TI
   LI
   LO
   TS