COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL439638
Chemical Name: 1-{[(E)-(4-methoxyphenyl)methylidene]amino}-4-(methylcarbamoyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2,3-triazol-3-ium-5-olate
Smiles: CNC(=O)c1[n+](nn(c1[O-])/N=C/c1ccc(cc1)OC)CC(=O)c1ccc(cc1)C

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Molecular Weight: 407.43
Empirical Formula: C21H21N5O4

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 3

     

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