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Compound Detail

CHEMBL2172239

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O=C(O)c1cc(NC(=O)c2ccccc2F)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172239
Phase Preclinical
Structure Type MOL
InChI Key NOPKZRLWYXDHLU-UHFFFAOYSA-N

Known Names

5-(2-Fluorobenzamido)Salicylicacid
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
1
Known Names

Molecular Properties

275.2
MW (Da)
2.48
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10FNO4
MW 275.24
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
22881866 10.1021/jm300841n Aldo-keto reductase family 1 member C3 1
22881866 10.1021/jm300841n Aldo-keto reductase family 1 member C1 1

Data from ChEMBL 36 via Core Engine