General Information of the Compound
Compound ID
CP0192486
Compound Name
3-ethenyl-6-[2-(6-methylpyridin-2-yl)pyrazol-3-yl]quinazolin-4-one
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Structure
Formula
C19H15N5O
Molecular Weight
329.363
Canonical SMILES
Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C=C)c(=O)c2c1
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InChI
InChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3
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InChIKey
HDAOYJBJKHMXID-UHFFFAOYSA-N
Physicochemical Property
logP
3.05312
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
65.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 70687848
ChEMBL ID
CHEMBL2024685
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: PT04556, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 44 nM
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