COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692816
Chemical Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: O=C1CSC(c2c(N1)n(nc2C)c1nc2c(s1)cc(cc2)C)c1ccc2c(c1)OCO2

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Molecular Weight: 450.54
Empirical Formula: C22H18N4O3S2

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 5.396
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 6

     

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