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Compound Detail

CHEMBL1205094

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COc1ccc(C(=O)/C(Cc2cccc(OC)c2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205094
Phase Preclinical
Structure Type MOL
InChI Key NYLPOSGITCOOBC-ATJXCDBQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
4.67
ALogP
7
HBA
1
HBD
98.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20N2O5S
MW 460.51
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine