COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL410322
Chemical Name: 7-hydroxy-4-(propan-2-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CC(C1SCC(=Nc2c1c(=O)[nH]n2C1CCOCC1)O)C

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Molecular Weight: 311.41
Empirical Formula: C14H21N3O3S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 0.952
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 3

     

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