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Compound Detail

CHEMBL1184240

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CCCCCCCCCCCCCCC1COC(COCCCCCCCC[n+]2ccsc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184240
Phase Preclinical
Structure Type MOL
InChI Key PRUVSTOYDUIQNL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

494.9
MW (Da)
8.89
ALogP
3
HBA
0
HBD
22.3
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 C30H56NO2S+
MW 494.85
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 0.52

Data from ChEMBL 36 via Core Engine