COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038858
Chemical Name: 4-bromo-2-{(E)-[2-({[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: O=C(CSc1[nH+]nc(n1CC(=C)C)c1ccc(cc1)Br)N/N=C/c1cc(Br)ccc1[O-]

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Molecular Weight: 565.29
Empirical Formula: C21H19Br2N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.372
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 3

     

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