COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL437155
Chemical Name: 4-(methylcarbamoyl)-1-{[(E)-(4-nitrophenyl)methylidene]amino}-1H-1,2,3-triazol-5-olate
Smiles: CNC(=O)c1nnn(c1[O-])/N=C/c1ccc(cc1)[N+](=O)[O-]

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Saltdata: Na+
Molecular Weight: 289.23
Empirical Formula: C11H9N6O4

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 0.606
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 141
Number of rings: 2

     

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