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Compound Detail

CHEMBL47681

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C[S+](C)CC#CCN1CCCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL47681
Phase Preclinical
Structure Type MOL
InChI Key CWURVHGXDQZKII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

198.3
MW (Da)
0.49
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16NOS+
MW 198.31
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine