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Compound Detail

CHEMBL1195549

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CCCCNC1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195549
Phase Preclinical
Structure Type MOL
InChI Key DTFBMRMDPHSOFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.5
MW (Da)
1.00
ALogP
6
HBA
2
HBD
106.3
PSA (Ų)
0.78
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 C11H18N2O4S3
MW 338.48
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.08

Data from ChEMBL 36 via Core Engine