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Compound Detail

CHEMBL3771388

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NCC1CC1c1c(OCCF)ccc(Cl)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3771388
Phase Preclinical
Structure Type MOL
InChI Key DSHRLEYUYDHKAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

261.7
MW (Da)
2.89
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14ClF2NO
MW 261.70
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine