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Compound Detail

CHEMBL1182855

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CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(Br)cc1c2C[n+]1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182855
Phase Preclinical
Structure Type MOL
InChI Key YKMOBUHXIJLMQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

533.4
MW (Da)
3.57
ALogP
6
HBA
1
HBD
85.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23BrN3O4+
MW 533.40
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.61

Data from ChEMBL 36 via Core Engine