COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL409175
Chemical Name: 7-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: COc1cc(cc(c1O)OC)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOCC1)O

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Molecular Weight: 421.47
Empirical Formula: C19H23N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.58
Rotatable bonds: 5
H-donors: 3
H-acceptors: 6
PSA: 138
Number of rings: 4

     

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