COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL410184
Chemical Name: 7-hydroxy-1-(tetrahydro-2H-thiopyran-4-yl)-4-(2,3,4-trimethoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: COc1c(ccc(c1OC)OC)C1SCC(=Nc2c1c(=O)[nH]n2C1CCSCC1)O

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Molecular Weight: 451.57
Empirical Formula: C20H25N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.394
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 143
Number of rings: 4

     

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