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Compound Detail

CHEMBL169804

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

Basic Information

ChEMBL ID CHEMBL169804
Phase Preclinical
Structure Type MOL
InChI Key XFNYIWCNDRPFGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
3.32
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.82
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 C11H14N2S
MW 206.31
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine