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Compound Detail

CHEMBL1178986

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CCOC1(OCC)C2c3ccccc3C([n+]3ccsc32)C1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178986
Phase Preclinical
Structure Type MOL
InChI Key WIVKIBWBECIUDK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
3.88
ALogP
3
HBA
0
HBD
22.3
PSA (Ų)
0.63
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 C19H24NO2S+
MW 330.47
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.20

Data from ChEMBL 36 via Core Engine