General Information of the Compound
Compound ID
CP0096872
Compound Name
Cyclofenil
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Synonyms
(Cyclohexylidenemethylene)bis(4,1-phenylene) diacetate
2624-43-3
4,4'-(Cyclohexylidenemethylene)diphenol diacetate ester
AI3-52271
BRN 2014687
Bis(p-hydroxyphenyl)cyclohexyldienemethane diacetate
C23H24O4
Ciclofenilo [INN-Spanish]
Cyclofenil
Cyclofenil [INN:BAN:DCF:JAN]
Cyclofenilum [INN-Latin]
Cyclofenyl
Cyclopenil
Cyclophenil
Cyclophenyl
EINECS 220-089-1
F 6066
F-6066
Fertodur
H 3452
ICI 48213
NSC 86464
Neoclym
Oginex
Ondogyne
Ondonid
Rehibin
Sanocrisin
Sexadieno
Sexovar
Sexovid
UNII-J468V64WZ1
cyclofenil
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Structure
Formula
C23H24O4
Molecular Weight
364.441
Canonical SMILES
CC(=O)Oc1ccc(cc1)C(=C1CCCCC1)c1ccc(OC(C)=O)cc1
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InChI
InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
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InChIKey
GVOUFPWUYJWQSK-UHFFFAOYSA-N
CAS
2624-43-3
Physicochemical Property
logP
5.3032
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
52.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 2898
SID: 15423837
ChEMBL ID
CHEMBL141305
DrugBank ID
DB13472
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: PT00886, Estrogen receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 26 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 27 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cyclofenil )
Drug Name Cyclofenil
Indication
Infertility
Approved
Target(s)
Estrogen receptor (ESR)
 Target Info 
Modulator