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Compound Detail

CHEMBL3139194

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CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(N)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139194
Phase Preclinical
Structure Type MOL
InChI Key BQXWFQLAXRLUPP-VIFPVBQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.3
MW (Da)
1.96
ALogP
5
HBA
3
HBD
87.8
PSA (Ų)
0.54
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 C15H22BrN3O3
MW 372.26
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine