CHF4227

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1O98089Q9M

Structure
InChI Key ZUDXUNPSRMREOJ-UHFFFAOYSA-N
Smile COc1ccc(C2=C(Cc3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc3OC2)cc1
InChI
InChI=1S/C30H33NO4/c1-33-25-12-7-23(8-13-25)29-21-35-30-20-24(32)9-14-27(30)28(29)19-22-5-10-26(11-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,20,32H,2-4,15-19,21H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H33NO4
Molecular Weight 471.6
AlogP 5.81
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 51.16
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Estrogen receptor modulator PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545355
EPA CompTox DTXSID50196184
FDA SRS 1O98089Q9M
SureChEMBL SCHEMBL6144073
ZINC ZINC000000603752
CONTENTS