General Information of the Compound
Compound ID
CP0483177
Compound Name
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylethyl)acetamide
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Structure
Formula
C19H19N3O2
Molecular Weight
321.38
Canonical SMILES
Cc1cccc2c1ncn(CC(=O)NCCc1ccccc1)c2=O
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InChI
InChI=1S/C19H19N3O2/c1-14-6-5-9-16-18(14)21-13-22(19(16)24)12-17(23)20-11-10-15-7-3-2-4-8-15/h2-9,13H,10-12H2,1H3,(H,20,23)
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InChIKey
KXRNCUODVDBYTC-UHFFFAOYSA-N
Physicochemical Property
logP
2.06382
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
63.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 27007581
ChEMBL ID
CHEMBL3785171
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: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000308 T-REx-CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 8330 nM
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