COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411246
Chemical Name: 2-{5-[7-hydroxy-3-oxo-1-(tetrahydro-2H-thiopyran-4-yl)-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}acetamide
Smiles: COc1ccc(cc1OCC(=O)N)C1SCC(=Nc2c1c(=O)[nH]n2C1CCSCC1)O

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Molecular Weight: 464.57
Empirical Formula: C20H24N4O5S2

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 1.317
Rotatable bonds: 7
H-donors: 4
H-acceptors: 5
PSA: 177
Number of rings: 4

     

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