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Compound Detail

CHEMBL1181394

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CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)CCCC[n+]2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181394
Phase Preclinical
Structure Type MOL
InChI Key QGFZACHDVYCESG-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.6
MW (Da)
3.54
ALogP
6
HBA
2
HBD
113.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N3O5S2+
MW 512.63
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.08

Data from ChEMBL 36 via Core Engine