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Compound Detail

CHEMBL171278

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COC(c1c[nH]cn1)c1cscc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL171278
Phase Preclinical
Structure Type MOL
InChI Key SGXXDZISTWTTRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
2.52
ALogP
3
HBA
1
HBD
37.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12N2OS
MW 208.29
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine