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Compound Detail

CHEMBL1178615

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CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1ccc2ccccc2[n+]1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178615
Phase Preclinical
Structure Type MOL
InChI Key JMRHJPSIOUWLEG-WJTDDFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
3.53
ALogP
5
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 C25H24N3OS2+
MW 446.62
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine