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Compound Detail

CHEMBL4117111

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CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117111
Phase Preclinical
Structure Type MOL
InChI Key UQAOABFQNHZBIQ-DUXPYHPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
5.18
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.73
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22F3NO
MW 361.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine