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Compound Detail

CHEMBL181042

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C=CC(OC(C)=O)c1cccc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL181042
Phase Preclinical
Structure Type MOL
InChI Key CPPCAULIRTYOQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

192.2
MW (Da)
2.18
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12O3
MW 192.21
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 1.60

Literature References

PubMed DOI Target Context # Activities
15780639 10.1016/j.bmcl.2005.01.070 Mus musculus 2

Data from ChEMBL 36 via Core Engine