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Compound Detail

CHEMBL3771387

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COc1ccc(Cl)c(F)c1C1CC1CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3771387
Phase Preclinical
Structure Type MOL
InChI Key COCHDBMHBGSPFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

229.7
MW (Da)
2.55
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13ClFNO
MW 229.68
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.38

Data from ChEMBL 36 via Core Engine