COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041970
Chemical Name: 4-{(E)-[2-({1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-ethoxyphenolate
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CSc2ccccc2)c2nonc2[NH3+])ccc1[O-]

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Molecular Weight: 480.51
Empirical Formula: C21H20N8O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.766
Rotatable bonds: 7
H-donors: 4
H-acceptors: 4
PSA: 196
Number of rings: 4

     

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