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Compound Detail

CHEMBL2079383

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CNCc1cc(-c2ccccc2C(F)(F)F)n(S(=O)(=O)c2cccnc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079383
Phase Preclinical
Structure Type MOL
InChI Key KCVSUHLUTNRMRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
3.53
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16F3N3O2S
MW 395.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine