General Information of the Compound
Compound ID
CP0101836
Compound Name
4-[5-(4-Chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
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Structure
Formula
C15H11ClN2
Molecular Weight
254.72
Canonical SMILES
Clc1ccc(cc1)-c1ccc([nH]1)-c1ccncc1
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InChI
InChI=1S/C15H11ClN2/c16-13-3-1-11(2-4-13)14-5-6-15(18-14)12-7-9-17-10-8-12/h1-10,18H
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InChIKey
XPWZPRGVSSXETH-UHFFFAOYSA-N
Physicochemical Property
logP
4.3971
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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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PubChem ID
CID: 44372397
ChEMBL ID
CHEMBL160372
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: PT01473, Glucagon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 140 nM
   TI
   LI
   LO
   TS
2
IC50 > 3000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06074, Glucagon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 700 nM
   TI
   LI
   LO
   TS
2
IC50 > 3000 nM
   TI
   LI
   LO
   TS