COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL439645
Chemical Name: 3-benzyl-4-(methylcarbamoyl)-1-{[(E)-(4-methylphenyl)methylidene]amino}-1H-1,2,3-triazol-3-ium-5-olate
Smiles: CNC(=O)c1[n+](Cc2ccccc2)nn(c1[O-])/N=C/c1ccc(cc1)C

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Molecular Weight: 349.39
Empirical Formula: C19H19N5O2

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 86
Number of rings: 3

     

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