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Compound Detail

CHEMBL1196117

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Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(C#N)cn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196117
Phase Preclinical
Structure Type MOL
InChI Key ZBRKDJSKLPGQOT-KEBDBYFISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
2.08
ALogP
8
HBA
0
HBD
134.0
PSA (Ų)
0.37
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 C17H14N6O4S
MW 398.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.88

Data from ChEMBL 36 via Core Engine