COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK637054
Chemical Name: 3-(4-tert-butylphenyl)-6-(3-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: [O-][N+](=O)c1cccc(c1)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C

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Molecular Weight: 379.44
Empirical Formula: C19H17N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.501
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 117
Number of rings: 4

     

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