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Compound Detail

CHEMBL1179396

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CCCCCc1nsnc1C1=CCCN(C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179396
Phase Preclinical
Structure Type MOL
InChI Key JQGRLTLTFQOOCL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

251.4
MW (Da)
2.99
ALogP
4
HBA
0
HBD
29.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H21N3S
MW 251.40
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine