COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL421450
Chemical Name: {4-[1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-3-oxo-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}aceticacid
Smiles: COc1cc(ccc1OCC(=O)O)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)O

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Molecular Weight: 477.54
Empirical Formula: C22H27N3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.004
Rotatable bonds: 8
H-donors: 3
H-acceptors: 7
PSA: 155
Number of rings: 4

     

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