COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK500044
Chemical Name: 6-(4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1c(OC)cc(cc1OC)c1nnc2n1nc(s2)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 413.41
Empirical Formula: C18H15N5O5S

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 5.053
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 144
Number of rings: 4

     

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