General Information of the Compound
Compound ID
CP0374429
Compound Name
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinolin-4-amine
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Structure
Formula
C20H16N4
Molecular Weight
312.376
Canonical SMILES
Cc1cccc(n1)-c1cc(Nc2ccncc2)c2ccccc2n1
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InChI
InChI=1S/C20H16N4/c1-14-5-4-8-18(22-14)20-13-19(23-15-9-11-21-12-10-15)16-6-2-3-7-17(16)24-20/h2-13H,1H3,(H,21,23,24)
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InChIKey
OUYYGKQETOODJA-UHFFFAOYSA-N
Physicochemical Property
logP
4.74382
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 10086873
SID: 15073649
ChEMBL ID
CHEMBL560815
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: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 22 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 58 nM
   TI
   LI
   LO
   TS