General Information of the Compound
Compound ID
CP0525327
Compound Name
1-[4-(4-hydroxyphenyl)phenyl]ethanone
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Structure
Formula
C14H12O2
Molecular Weight
212.248
Canonical SMILES
CC(=O)c1ccc(cc1)-c1ccc(O)cc1
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InChI
InChI=1S/C14H12O2/c1-10(15)11-2-4-12(5-3-11)13-6-8-14(16)9-7-13/h2-9,16H,1H3
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InChIKey
DXXRWDCBHNIVBQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2618
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 10330806
SID: 15340957
ChEMBL ID
CHEMBL261578
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: PT01498, 17-beta-hydroxysteroid dehydrogenase type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 3700 nM
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