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Compound Detail

CHEMBL1491481

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CCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

Basic Information

ChEMBL ID CHEMBL1491481
Phase Preclinical
Structure Type MOL
InChI Key SGNIXJCUFHSJEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
2.17
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O2S
MW 344.44
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.83

Data from ChEMBL 36 via Core Engine