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Compound Detail

CHEMBL1518369

CUMENE HYDROPEROXIDE
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CC(C)(OO)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1518369
Name CUMENE HYDROPEROXIDE
Phase Preclinical
Structure Type MOL
InChI Key YQHLDYVWEZKEOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

152.2
MW (Da)
2.41
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H12O2
MW 152.19
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.76

Literature References

PubMed DOI Target Context # Activities
16248836 10.2174/138920005774330639 Cytochrome P450 2B1 1
22142539 10.1016/j.bmcl.2011.11.030 SH-SY5Y 1

Data from ChEMBL 36 via Core Engine