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Compound Detail

CHEMBL605845

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NC(=O)c1ccc2cc(-c3ccc(Oc4ccc(F)cc4)cc3)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL605845
Phase Preclinical
Structure Type MOL
InChI Key TVJBOERXNGXSHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.87
ALogP
2
HBA
2
HBD
68.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15FN2O2
MW 346.36
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
20155918 10.1021/jm901852f Botulinum neurotoxin type A 1
20155918 10.1021/jm901852f Lethal factor 1

Data from ChEMBL 36 via Core Engine