COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045053
Chemical Name: 4-(1,3-benzodioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1ccc3c(c1)OCO3)c(nn2C1CCOC(C1)(C)C)C

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Molecular Weight: 415.51
Empirical Formula: C21H25N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.699
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 5

     

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