COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL410199
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]benzonitrile
Smiles: N#Cc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)O

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Molecular Weight: 398.49
Empirical Formula: C20H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.497
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 123
Number of rings: 4

     

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