COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK546055
Chemical Name: 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenyl2-methyl-3-nitrobenzoate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1OC(=O)c1cccc(c1C)[N+](=O)[O-]

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Molecular Weight: 583.52
Empirical Formula: C27H21N9O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.91
Rotatable bonds: 7
H-donors: 3
H-acceptors: 7
PSA: 218
Number of rings: 5

     

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