COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047436
Chemical Name: 2,3-dimethoxy-6-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Smiles: COc1c(OC)ccc(c1C(=O)[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccccc1)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 607.64
Empirical Formula: C29H29N5O8S

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 6.284
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 185
Number of rings: 4

     

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