General Information of the Compound
Compound ID
CP0573655
Compound Name
5-(2,5-dichloropyrimidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
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Structure
Formula
C10H5Cl2N5
Molecular Weight
266.091
Canonical SMILES
Clc1ncc(Cl)c(n1)-c1c[nH]c2ncncc12
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InChI
InChI=1S/C10H5Cl2N5/c11-7-3-15-10(12)17-8(7)5-2-14-9-6(5)1-13-4-16-9/h1-4H,(H,13,14,16)
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InChIKey
SNCPRBGMFLEHRJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7217
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
67.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 168283701
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: 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 = 19.95 nM
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