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Compound Detail

CHEMBL4302252

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CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1cc(C)sc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302252
Phase Preclinical
Structure Type MOL
InChI Key TWOWELFNRRQPEA-ZNTNEXAZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

533.2
MW (Da)
4.80
ALogP
7
HBA
0
HBD
29.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23ClN3OS4+
MW 533.19
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine