COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039777
Chemical Name: 4-{(E)-[2-({[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenolate
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(c(c2)OC)[O-])[nH+]nc1c1ccc(cc1)OC

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Molecular Weight: 519.58
Empirical Formula: C26H25N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.666
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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