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Compound Detail

CHEMBL5029001

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COc1ccc2c(c1)c1c[n+](C)ccc1n2CCC(=O)N1c2ccccc2Sc2ccccc21

Basic Information

ChEMBL ID CHEMBL5029001
Phase Preclinical
Structure Type MOL
InChI Key TYILUFWHLUDPEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
5.85
ALogP
4
HBA
0
HBD
38.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24N3O2S+
MW 466.59
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine