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Compound Detail

CHEMBL1180163

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CCCCCCCCCCCCCCCCCCOCCSCCOC(=O)N(Cc1cccc[n+]1CC)C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180163
Phase Preclinical
Structure Type MOL
InChI Key XCSQJOYFKKJMQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

579.9
MW (Da)
8.49
ALogP
5
HBA
0
HBD
59.7
PSA (Ų)
0.08
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H59N2O4S+
MW 579.91
Aromatic Rings 1
Heavy Atoms 40
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine