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Compound Detail

CHEMBL61763

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Cc1ccc2cccnc2c1C(=O)Nc1ccc(C(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL61763
Phase Preclinical
Structure Type MOL
InChI Key ZIDOXJANBNNVAM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
4.81
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13F3N2O
MW 330.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
11384243 10.1021/jm010822m Unchecked 1

Data from ChEMBL 36 via Core Engine