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Compound Detail

CHEMBL1193340

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Cc1ccsc1/C(=C\CCN1CCC=C(C(=O)O)C1)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193340
Phase Preclinical
Structure Type MOL
InChI Key JIBYHZMWODILRZ-SOFYXZRVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
4.66
ALogP
4
HBA
1
HBD
40.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO2S2
MW 359.52
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine