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Compound Detail

CHEMBL1411988

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O=C(O)CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1411988
Phase Preclinical
Structure Type MOL
InChI Key AJOCFOTYYPUXLO-WEVVVXLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
1.88
ALogP
6
HBA
1
HBD
100.8
PSA (Ų)
0.39
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 C12H8N2O5S2
MW 324.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -2.08

Data from ChEMBL 36 via Core Engine