COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL315639
Chemical Name: 2-{2-[3-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCc2nn3c(s2)nnc3c2ccc(cc2)C(C)(C)C)C(=O)c2c1cccc2

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Molecular Weight: 431.52
Empirical Formula: C23H21N5O2S

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 6.048
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 108
Number of rings: 5

     

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