COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038618
Chemical Name: 2-bromo-4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-methoxyphenolate
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cc(Br)c(c(c2)OC)[O-])[nH+]nc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 624.56
Empirical Formula: C29H30BrN5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.496
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 4

     

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