COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL237762
Chemical Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: O=C1CSC(c2c(N1)n(nc2C)c1ccccc1)c1ccc2c(c1)OCO2

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Molecular Weight: 379.44
Empirical Formula: C20H17N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.346
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 5

     

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