COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780486
Chemical Name: 4-(1,3-benzodioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: O=C1CSC(c2c(N1)n(nc2C)C1CCOC(C1)(C)C)c1ccc2c(c1)OCO2

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Molecular Weight: 415.51
Empirical Formula: C21H25N3O4S

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 3.592
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 5

     

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