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Compound Detail

CHEMBL4117699

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COc1ccc(F)cc1C1CC1CNC1(c2ccccc2OC)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117699
Phase Preclinical
Structure Type MOL
InChI Key UTOZUXHROYLHEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
4.23
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24FNO2
MW 341.43
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine