General Information of the Compound
Compound ID
CP0167098
Compound Name
2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
    Show/Hide
Structure
Formula
C16H14N2O4
Molecular Weight
298.298
Canonical SMILES
CCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
    Show/Hide
InChI
InChI=1S/C16H14N2O4/c1-2-14-17-12-7-11(20)8-13(21)15(12)16(22)18(14)9-3-5-10(19)6-4-9/h3-8,19-21H,2H2,1H3
    Show/Hide
InChIKey
XPIOXZHGLYQLNZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.0649
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
95.58
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11666535
SID: 16770331
ChEMBL ID
CHEMBL202894
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: PT00889, Estrogen receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  2
1
EC50 = 1261 nM
   TI
   LI
   LO
   TS
2
EC50 = 9317 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5752 nM