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Compound Detail

CHEMBL311081

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NCCCNCC(F)(F)CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311081
Phase Preclinical
Structure Type MOL
InChI Key BOAICPUGLXQRBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

167.2
MW (Da)
-0.48
ALogP
3
HBA
3
HBD
64.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H15F2N3
MW 167.20
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
1875339 10.1021/jm00112a016 Calf thymus DNA 1

Data from ChEMBL 36 via Core Engine