COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042686
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}-2,6-dimethoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CSc2ccccc2)c2nonc2[NH3+])cc(c1[O-])OC

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Molecular Weight: 496.51
Empirical Formula: C21H20N8O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.009
Rotatable bonds: 6
H-donors: 4
H-acceptors: 5
PSA: 205
Number of rings: 4

     

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