COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042009
Chemical Name: (2-{(E)-[2-({[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)[O-])[nH+]nc1c1ccc(cc1)Cl

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Molecular Weight: 566.04
Empirical Formula: C27H24ClN5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.099
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 157
Number of rings: 4

     

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