General Information of the Compound
Compound ID
CP0308588
Compound Name
2-(6-methylpyridin-2-yl)-N-(2-methylpyridin-4-yl)quinazolin-4-amine
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Structure
Formula
C20H17N5
Molecular Weight
327.391
Canonical SMILES
Cc1cccc(n1)-c1nc(Nc2ccnc(C)c2)c2ccccc2n1
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InChI
InChI=1S/C20H17N5/c1-13-6-5-9-18(22-13)20-24-17-8-4-3-7-16(17)19(25-20)23-15-10-11-21-14(2)12-15/h3-12H,1-2H3,(H,21,23,24,25)
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InChIKey
GQEJUXJAPUMCSC-UHFFFAOYSA-N
Physicochemical Property
logP
4.44724
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
63.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 45269578
ChEMBL ID
CHEMBL560415
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 = 199 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 1017 nM
   TI
   LI
   LO
   TS