COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442186
Chemical Name: 1-{[(E)-(4-chlorophenyl)methylidene]amino}-4-(ethoxycarbonyl)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1H-1,2,3-triazol-3-ium-5-olate
Smiles: CCOC(=O)c1[n+](CC(=O)c2ccc(cc2)OCC)nn(c1[O-])/N=C/c1ccc(cc1)Cl

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Molecular Weight: 456.89
Empirical Formula: C22H21ClN4O5

Physical State: Dry powder
Available Amount: 218 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 109
Number of rings: 3

     

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