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Compound Detail

CHEMBL4065755

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O=c1cc(-c2ccc(OC(F)(F)F)cc2)oc2c1ccc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4065755
Phase Preclinical
Structure Type MOL
InChI Key QVUWJPSQEYJBTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
5.51
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H11F3O3
MW 356.30
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
28117203 10.1016/j.bmcl.2017.01.020 Carboxylic ester hydrolase 6

Data from ChEMBL 36 via Core Engine