General Information of the Compound
Compound ID
CP0573656
Compound Name
1-(2-chloropyrimidin-4-yl)pyrrolo[3,2-b]pyridine
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Structure
Formula
C11H7ClN4
Molecular Weight
230.658
Canonical SMILES
Clc1nccc(n1)-n1ccc2ncccc12
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InChI
InChI=1S/C11H7ClN4/c12-11-14-6-3-10(15-11)16-7-4-8-9(16)2-1-5-13-8/h1-7H
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InChIKey
NZRQHJPVCCCFBP-UHFFFAOYSA-N
Physicochemical Property
logP
2.4689
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
43.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 130206275
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 = 1584.89 nM
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