COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL410143
Chemical Name: 7-hydroxy-4-(2-hydroxy-6-methoxyquinolin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: COc1ccc2c(c1)cc(c(n2)O)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOCC1)O

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Molecular Weight: 442.5
Empirical Formula: C21H22N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.846
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 141
Number of rings: 5

     

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