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Compound Detail

CHEMBL4565882

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N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1COC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4565882
Phase Preclinical
Structure Type MOL
InChI Key SFPDMMAWLIELGM-UNXLUWIOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.2
MW (Da)
0.69
ALogP
7
HBA
2
HBD
136.9
PSA (Ų)
0.27
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 C12H9N3O6
MW 291.22
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine