COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408908
Chemical Name: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: COc1cc(cc2c1OCO2)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)O

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Molecular Weight: 447.51
Empirical Formula: C21H25N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.088
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 127
Number of rings: 5

     

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