General Information of the Compound
Compound ID
CP0191382
Compound Name
2-pyridin-4-ylquinoline
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Structure
Formula
C14H10N2
Molecular Weight
206.248
Canonical SMILES
c1ccc2nc(ccc2c1)-c1ccncc1
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InChI
InChI=1S/C14H10N2/c1-2-4-13-11(3-1)5-6-14(16-13)12-7-9-15-10-8-12/h1-10H
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InChIKey
KTDMTKZWKXFJHS-UHFFFAOYSA-N
Physicochemical Property
logP
3.2968
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
25.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 1481979
SID: 163475451
ChEMBL ID
CHEMBL452153
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  2
1
IC50 = 2260 nM
   TI
   LI
   LO
   TS
2
IC50 = 4200 nM
   TI
   LI
   LO
   TS