COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK104898
Chemical Name: 4-{[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]amino}-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol
Smiles: Br/C(=C\c1ccccc1)/C=N/n1c(S)nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 441.39
Empirical Formula: C21H21BrN4S

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 7.818
Rotatable bonds: 3
H-donors: 0
H-acceptors: 0
PSA: 81
Number of rings: 3

     

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