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Compound Detail

CHEMBL1178191

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CCCCCCCCCCCCCCCCOCC1OCC(COCCCC[n+]2ccsc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178191
Phase Preclinical
Structure Type MOL
InChI Key DIMHYAQLAIEZKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

498.8
MW (Da)
7.07
ALogP
5
HBA
0
HBD
40.8
PSA (Ų)
0.11
QED
1
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H52NO4S+
MW 498.79
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 0.32

Data from ChEMBL 36 via Core Engine