General Information of the Compound
Compound ID
CP0459182
Compound Name
6-methyl-2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)pyrimidin-4-amine
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Structure
Formula
C16H15N5
Molecular Weight
277.331
Canonical SMILES
Cc1cccc(n1)-c1nc(C)cc(Nc2ccncc2)n1
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InChI
InChI=1S/C16H15N5/c1-11-4-3-5-14(18-11)16-19-12(2)10-15(21-16)20-13-6-8-17-9-7-13/h3-10H,1-2H3,(H,17,19,20,21)
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InChIKey
QQWPUZDBNNDUNZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.29404
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
63.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 45270417
ChEMBL ID
CHEMBL552232
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 = 93 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 745 nM
   TI
   LI
   LO
   TS