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Compound Detail

CHEMBL2042774

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O=C(/C=C/c1ccccc1)N/N=C/c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2042774
Phase Preclinical
Structure Type MOL
InChI Key LPQYCJHJAVDWOA-BUJDNCMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.99
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.52
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 C16H13FN2O
MW 268.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
22727447 10.1016/j.ejmech.2012.05.041 Trypanosoma cruzi 2
22727447 10.1016/j.ejmech.2012.05.041 J774 1

Data from ChEMBL 36 via Core Engine