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Compound Detail

CHEMBL5897969

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O=C1NC2(CCN(CC(F)(F)F)CC2)n2c1c(Cl)cc(Nc1ccncn1)c2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5897969
Phase Preclinical
Structure Type MOL
InChI Key BCAUWYUSLSHUKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.8
MW (Da)
2.09
ALogP
7
HBA
2
HBD
92.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClF3N6O2
MW 428.80
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.29

Data from ChEMBL 36 via Core Engine