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Compound Detail

CHEMBL3304443

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COc1ccccc1/N=C1/SCCCN1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3304443
Phase Preclinical
Structure Type MOL
InChI Key FWVWWBGIUDCCIO-OUKQBFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
2.75
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.79
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 C12H16N2OS
MW 236.34
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.24

Data from ChEMBL 36 via Core Engine