COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL086188
Chemical Name: 2-{2-[3-(azepan-1-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCc2sc3n(n2)c(nn3)CN2CCCCCC2)C(=O)c2c1cccc2

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Molecular Weight: 410.5
Empirical Formula: C20H22N6O2S

Physical State: Dry powder
Available Amount: 390 mg

Lipinsky:
logP: 3.982
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 111
Number of rings: 5

     

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