COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562087
Chemical Name: (2-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetate
Smiles: COc1cc(cc(c1OC)OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C/c1ccccc1OCC(=O)[O-]

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Molecular Weight: 577.62
Empirical Formula: C28H27N5O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.078
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 175
Number of rings: 4

     

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