COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047649
Chemical Name: 5-(diethylamino)-2-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: CCN(c1ccc(c(c1)[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccccc1)c1cc(OC)c(c(c1)OC)OC)CC

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Molecular Weight: 590.7
Empirical Formula: C30H34N6O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.425
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 152
Number of rings: 4

     

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