COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052900
Chemical Name: 4-bromo-2-methoxy-6-{(E)-[(3-thioxo-2,3-dihydro-4H-1,2,4-triazol-1-ium-4-yl)imino]methyl}phenolate
Smiles: COc1cc(Br)cc(c1[O-])/C=N/n1c[nH+][nH]c1=S

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Molecular Weight: 329.18
Empirical Formula: C10H9BrN4O2S

Physical State: Dry powder
Available Amount: 227 mg

Lipinsky:
logP: 2.194
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 105
Number of rings: 2

     

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