COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL319363
Chemical Name: 7-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(propan-2-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]n2C(C)C)O

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Molecular Weight: 379.44
Empirical Formula: C17H21N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.298
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 128
Number of rings: 3

     

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