BISOCTRIZOLE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8NT850T0YS

Structure
InChI Key FQUNFJULCYSSOP-UHFFFAOYSA-N
Smile CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChI
InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C41H50N6O2
Molecular Weight 658.89
AlogP 9.58
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 101.88
Molecular species NEUTRAL
Aromatic Rings 6.0
Heavy Atoms 49.0

Pharmacology

Action Mechanism of Action Reference
None Sunscreen DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urticaria 2 D014581 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135865
ChEMBL CHEMBL2104957
DrugBank DB11262
DrugCentral 3031
EPA CompTox DTXSID2046703
FDA SRS 8NT850T0YS
PubChem 3571576
SureChEMBL SCHEMBL39191
ZINC ZINC000011677911
CONTENTS