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Compound Detail

CHEMBL3771391

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NCC1CC1c1cc(Cl)c(Cl)cc1OCCF
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3771391
Phase Preclinical
Structure Type MOL
InChI Key AQTBSMNTKDYYJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

278.1
MW (Da)
3.40
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.90
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 C12H14Cl2FNO
MW 278.15
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine