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Compound Detail

CHEMBL5028857

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Cn1cc([C+](c2ccc(C(F)(F)F)cc2)c2c[nH]c3ccccc23)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028857
Phase Preclinical
Structure Type MOL
InChI Key HTKHRAFFLYGTSO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
6.70
ALogP
1
HBA
1
HBD
20.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18F3N2+
MW 403.43
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine