COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150801
Chemical Name: 2-{(E)-[2-({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-methoxyphenolate
Smiles: COc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1C)c1ccc(cc1)Br

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Molecular Weight: 476.35
Empirical Formula: C19H18BrN5O3S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 5.66
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 3

     

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