General Information of the Compound
Compound ID
CP0056064
Compound Name
6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol
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Synonyms
6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol
CHEMBL469227
SCHEMBL3008799
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Structure
Formula
C22H16O2
Molecular Weight
312.368
Canonical SMILES
Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1ccccc1
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InChI
InChI=1S/C22H16O2/c23-19-8-4-7-16(14-19)17-9-11-20-18(13-17)10-12-21(24)22(20)15-5-2-1-3-6-15/h1-14,23-24H
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InChIKey
ZYOIQICRHUXCRL-UHFFFAOYSA-N
Physicochemical Property
logP
5.585
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 24894072
SID: 53776683
ChEMBL ID
CHEMBL469227
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 = 281 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol )
Drug Name 6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol
Target(s)
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1)
Inhibitor