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Compound Detail

CHEMBL1206679

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O=C(O)C1=C(S(=O)(=O)c2ccccc2)CS(=O)(=O)[C@@H]2/C(=C\c3ccccn3)C(=O)N12

Basic Information

ChEMBL ID CHEMBL1206679
Phase Preclinical
Structure Type MOL
InChI Key CBGQJFZAXFXQBC-RXEWJAMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
0.83
ALogP
7
HBA
1
HBD
138.8
PSA (Ų)
0.54
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 C19H14N2O7S2
MW 446.46
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine