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Compound Detail

CHEMBL2220267

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COc1cccc2cc(C(=O)/C=C/c3cc[n+](Cc4c(F)cccc4[N+](=O)[O-])cc3)c(=O)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220267
Phase Preclinical
Structure Type MOL
InChI Key UMUPNRXVXSSMDI-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.4
MW (Da)
4.08
ALogP
6
HBA
0
HBD
103.5
PSA (Ų)
0.10
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18FN2O6+
MW 461.43
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.61

Data from ChEMBL 36 via Core Engine