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Compound Detail

CHEMBL4594650

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O=C1N2CC=CC(C2)N1OS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594650
Phase Preclinical
Structure Type MOL
InChI Key WECVVFXISMUIIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

220.2
MW (Da)
-0.60
ALogP
4
HBA
1
HBD
87.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H8N2O5S
MW 220.21
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.22

Data from ChEMBL 36 via Core Engine