COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569810
Chemical Name: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccc(cc2)[N+](=O)[O-])c2nonc2[NH3+])cc(c1[O-])OC

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Molecular Weight: 495.41
Empirical Formula: C20H17N9O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.513
Rotatable bonds: 4
H-donors: 4
H-acceptors: 7
PSA: 226
Number of rings: 4

     

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