COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406595
Chemical Name: 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-(3-methyl-1-benzofuran-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(/C=C/c2nn3c(s2)nnc3c2oc3c(c2C)cccc3)ccc1OC

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Molecular Weight: 418.48
Empirical Formula: C22H18N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.815
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 5

     

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