COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK191974
Chemical Name: 3-(4-tert-butylphenyl)-6-[(E)-2-(4-nitrophenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: [O-][N+](=O)c1ccc(cc1)/C=C/c1sc2n(n1)c(nn2)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 405.48
Empirical Formula: C21H19N5O2S

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 6.912
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 117
Number of rings: 4

     

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