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Compound Detail

CHEMBL4301101

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CN(C/C=C/C=C/c1ccc(C(F)(F)F)cc1F)Cc1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301101
Phase Preclinical
Structure Type MOL
InChI Key ZFSIPUPFUSVPMQ-ZUVMSYQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
5.27
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F4NO2
MW 393.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine