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Compound Detail

CHEMBL1393535

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COc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1393535
Phase Preclinical
Structure Type MOL
InChI Key MSQHJQRSGCIMCK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.49
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.50
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 C15H14N2O5
MW 302.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.46

Data from ChEMBL 36 via Core Engine