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Compound Detail

CHEMBL3990570

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CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990570
Phase Preclinical
Structure Type MOL
InChI Key VTZXPYXSOSUWFO-RQZHXJHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
6.38
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30F3NO2
MW 469.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine