Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: BET7FM8SQG

Structure

InChI Key DBNZTRPIBJSUIX-WAYWQWQTSA-N
Smile CC(C)Oc1ccc(-n2cnc3cc(/C=C\c4ccc(C(C)(C)O)cc4)ccc32)cc1
InChI
InChI=1S/C27H28N2O2/c1-19(2)31-24-14-12-23(13-15-24)29-18-28-25-17-21(9-16-26(25)29)6-5-20-7-10-22(11-8-20)27(3,4)30/h5-19,30H,1-4H3/b6-5-

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H28N2O2
Molecular Weight 412.53
AlogP 6.21
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 47.28
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4537239
FDA SRS BET7FM8SQG
PubChem 71711529
SureChEMBL SCHEMBL15201523