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Compound Detail

CHEMBL1852464

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Cc1ccc2sc(COC3=C(Cc4cc5cc(C)ccc5s4)[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]3O)cc2c1

Basic Information

ChEMBL ID CHEMBL1852464
Phase Preclinical
Structure Type MOL
InChI Key RONQDXDNSCNTMK-SSEPRJSISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.6
MW (Da)
4.69
ALogP
7
HBA
4
HBD
107.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26O6S2
MW 510.63
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.26

Data from ChEMBL 36 via Core Engine