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Compound Detail

CHEMBL104775

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O=C(OC1CN2CCC1CC2)C(O)(CN1CCSCC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL104775
Phase Preclinical
Structure Type MOL
InChI Key WXWSHPPBDGXZGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
1.56
ALogP
6
HBA
1
HBD
53.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N2O3S
MW 376.52
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine