COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560716
Chemical Name: 2,6-dimethoxy-4-{(E)-[2-({[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: COc1ccc(cc1)c1n[nH+]c(n1c1ccc(cc1)C)SCC(=O)N/N=C/c1cc(OC)c(c(c1)OC)[O-]

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Molecular Weight: 533.61
Empirical Formula: C27H27N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.966
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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