COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK708413
Chemical Name: 2-{2-[3-(3,4-dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc(ccc1OC)Cc1nnc2n1nc(s2)CCN1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 449.49
Empirical Formula: C22H19N5O4S

Physical State: Dry powder
Available Amount: 252 mg

Lipinsky:
logP: 3.684
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 127
Number of rings: 5

     

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