General Information of the Compound
Compound ID
CP0520362
Compound Name
5-methoxy-N-[5-methyl-2-(6-methylpyridin-2-yl)pyridin-4-yl]quinolin-4-amine
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Structure
Formula
C22H20N4O
Molecular Weight
356.429
Canonical SMILES
COc1cccc2nccc(Nc3cc(ncc3C)-c3cccc(C)n3)c12
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InChI
InChI=1S/C22H20N4O/c1-14-13-24-20(16-7-4-6-15(2)25-16)12-19(14)26-18-10-11-23-17-8-5-9-21(27-3)22(17)18/h4-13H,1-3H3,(H,23,24,26)
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InChIKey
WHJWATIXIXBXNQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.06084
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
59.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 137640764
ChEMBL ID
CHEMBL4074485
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
CL000907 CellSensor SBE-bla HEK 293T Homo sapiens (Human)  1
1
EC50 = 31.62 nM
   TI
   LI
   LO
   TS
CL000187 Calu-6 Homo sapiens (Human)  1
1
EC50 = 199.53 nM
   TI
   LI
   LO
   TS