COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL409722
Chemical Name: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(4-methoxynaphthalen-1-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: COc1ccc(c2c1cccc2)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)O

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Molecular Weight: 453.56
Empirical Formula: C24H27N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.206
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 108
Number of rings: 5

     

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