COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568847
Chemical Name: 4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C(=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1[NH3+])/C

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Molecular Weight: 478.42
Empirical Formula: C21H18N8O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.732
Rotatable bonds: 5
H-donors: 4
H-acceptors: 6
PSA: 189
Number of rings: 5

     

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