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Compound Detail

CHEMBL3303128

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CCOc1ccc(/N=C2/SCCCN2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3303128
Phase Preclinical
Structure Type MOL
InChI Key DUBOCRZVGGGQSK-BUHFOSPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

250.4
MW (Da)
3.14
ALogP
3
HBA
0
HBD
24.8
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 C13H18N2OS
MW 250.37
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.52

Data from ChEMBL 36 via Core Engine