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Compound Detail

CHEMBL1852419

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O=C(O)[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2cc3ccccc3s2)=C1Cc1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852419
Phase Preclinical
Structure Type MOL
InChI Key ILDPLWRWUROBLZ-PLMTUMEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
2.92
ALogP
7
HBA
4
HBD
107.2
PSA (Ų)
0.48
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 C21H20O6S2
MW 432.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine