COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL410013
Chemical Name: 4-(3,4-dimethoxyphenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: COc1cc(ccc1OC)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)O

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Molecular Weight: 433.53
Empirical Formula: C21H27N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.797
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 117
Number of rings: 4

     

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