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Compound Detail

CHEMBL1207194

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CC(C)c1sc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

Basic Information

ChEMBL ID CHEMBL1207194
Phase Preclinical
Structure Type MOL
InChI Key WVLJHWOGFTYJBU-VTGNGFHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.7
MW (Da)
7.47
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H32O4S
MW 512.67
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness 0.35

Data from ChEMBL 36 via Core Engine