General Information of the Compound
Compound ID
CP0288405
Compound Name
3-arylquinazolinone, 1av
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Structure
Formula
C15H12N2O4
Molecular Weight
284.271
Canonical SMILES
Cc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
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InChI
InChI=1S/C15H12N2O4/c1-8-16-12-6-11(19)7-13(20)14(12)15(21)17(8)9-2-4-10(18)5-3-9/h2-7,18-20H,1H3
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InChIKey
HWVMDDZTSAEFOA-UHFFFAOYSA-N
Physicochemical Property
logP
1.81092
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
95.58
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 10085265
SID: 15071841
ChEMBL ID
CHEMBL205577
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)  1
1
EC50 = 1583 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11371 nM