COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149656
Chemical Name: 4-{(E)-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2CC)c2ccc(cc2)Cl)cc(c1[O-])OC

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Molecular Weight: 475.96
Empirical Formula: C21H22ClN5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.446
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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