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Compound Detail

CHEMBL4566854

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N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCOC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4566854
Phase Preclinical
Structure Type MOL
InChI Key BUKSGWNJWCSCOI-YCRREMRBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.2
MW (Da)
0.73
ALogP
7
HBA
2
HBD
136.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N3O6
MW 305.25
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine