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Compound Detail

CHEMBL1178608

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CCn1c(=O)/c(=C2\SCCN2C)s/c1=C\c1sc2ccc3ccccc3c2[n+]1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178608
Phase Preclinical
Structure Type MOL
InChI Key GWPCWUNLMHYOOF-XTQSDGFTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.7
MW (Da)
3.18
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.45
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 C23H24N3OS3+
MW 454.67
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine