General Information of the Compound
Compound ID
CP0465969
Compound Name
1-Methyl-3-phenylquinazoline-2,4(1H,3H)-dione
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Structure
Formula
C15H12N2O2
Molecular Weight
252.273
Canonical SMILES
Cn1c2ccccc2c(=O)n(-c2ccccc2)c1=O
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InChI
InChI=1S/C15H12N2O2/c1-16-13-10-6-5-9-12(13)14(18)17(15(16)19)11-7-3-2-4-8-11/h2-10H,1H3
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InChIKey
KCTNJALTDRHVIE-UHFFFAOYSA-N
CAS
1028-37-1
Physicochemical Property
logP
1.6894
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
44
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 242636
ChEMBL ID
CHEMBL479738
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 84000 nM
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