COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046843
Chemical Name: 2-bromo-4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)cc(c1[O-])Br

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Molecular Weight: 608.56
Empirical Formula: C29H30BrN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.041
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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