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Compound Detail

CHEMBL3041306

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Clc1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1

Basic Information

ChEMBL ID CHEMBL3041306
Phase Preclinical
Structure Type MOL
InChI Key DJLNAXNUIZWBJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.1
MW (Da)
8.21
ALogP
1
HBA
0
HBD
3.9
PSA (Ų)
0.18
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33ClNS+
MW 439.09
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine