COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780437
Chemical Name: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(2-ethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: CCOc1ccccc1C1SCC(=O)Nc2c1c(O)nn2C1CCOC(C1)(C)C

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Molecular Weight: 417.53
Empirical Formula: C21H27N3O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.035
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 110
Number of rings: 4

     

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