General Information of the Compound
Compound ID
CP0104350
Compound Name
N-[2-(3-fluoro-6-methylpyridin-2-yl)-5-methylpyridin-4-yl]-5-methoxyquinolin-4-amine
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Structure
Formula
C22H19FN4O
Molecular Weight
374.419
Canonical SMILES
COc1cccc2nccc(Nc3cc(ncc3C)-c3nc(C)ccc3F)c12
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InChI
InChI=1S/C22H19FN4O/c1-13-12-25-19(22-15(23)8-7-14(2)26-22)11-18(13)27-17-9-10-24-16-5-4-6-20(28-3)21(16)17/h4-12H,1-3H3,(H,24,25,27)
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InChIKey
JZIQEQUBVSUUPN-UHFFFAOYSA-N
Physicochemical Property
logP
5.19994
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
59.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 137655916
ChEMBL ID
CHEMBL4094958
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
CL000187 Calu-6 Homo sapiens (Human)  1
1
EC50 = 31.62 nM
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