COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147763
Chemical Name: 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-(prop-2-en-1-yl)phenolate
Smiles: C=CCc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccc(cc1)Br)c1ccccc1

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Molecular Weight: 548.46
Empirical Formula: C26H22BrN5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.823
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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