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Compound Detail

CHEMBL1229202

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NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(/[N+]([O-])=N\O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1229202
Phase Preclinical
Structure Type MOL
InChI Key DOGMVUCKEJGSSV-ZNTNEXAZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
3.19
ALogP
6
HBA
2
HBD
136.6
PSA (Ų)
0.37
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 C16H12F3N5O4S
MW 427.36
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.40

Data from ChEMBL 36 via Core Engine