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Compound Detail

CHEMBL1185602

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CCc1cc(-c2ccccc2)cc(CC)[n+]1-c1ccc(S(N)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185602
Phase Preclinical
Structure Type MOL
InChI Key DSYGNCQUDBLAAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
3.40
ALogP
2
HBA
1
HBD
64.0
PSA (Ų)
0.70
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 C21H23N2O2S+
MW 367.49
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.88

Data from ChEMBL 36 via Core Engine