COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054398
Chemical Name: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(2-carbamoylphenyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CNc2ccccc2C(=O)N)c2nonc2[NH3+])ccc1[O-]

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Molecular Weight: 492.45
Empirical Formula: C21H20N10O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.065
Rotatable bonds: 7
H-donors: 7
H-acceptors: 5
PSA: 226
Number of rings: 4

     

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