COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150564
Chemical Name: 2-ethoxy-4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: CCOc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2c2ccccc2)c2cc(OC)c(c(c2)OC)OC)ccc1[O-]

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Molecular Weight: 563.63
Empirical Formula: C28H29N5O6S

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 7.305
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 158
Number of rings: 4

     

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