General Information of the Compound
Compound ID
CP0580244
Compound Name
1-(2,5-dichlorophenyl)pyrrolo[3,2-b]pyridine
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Structure
Formula
C13H8Cl2N2
Molecular Weight
263.127
Canonical SMILES
Clc1ccc(Cl)c(c1)-n1ccc2ncccc12
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InChI
InChI=1S/C13H8Cl2N2/c14-9-3-4-10(15)13(8-9)17-7-5-11-12(17)2-1-6-16-11/h1-8H
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InChIKey
LNRFFTFFRKRTRN-UHFFFAOYSA-N
Physicochemical Property
logP
4.3323
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 168270605
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 > 31622.78 nM
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