COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446046
Chemical Name: ethyl5-[2-(4-chlorophenyl)-2-oxoethoxy]-1-{[(Z)-(4-nitrophenyl)methylidene]amino}-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1OCC(=O)c1ccc(cc1)Cl)/N=C\c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 457.83
Empirical Formula: C20H16ClN5O6

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 3.74
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 141
Number of rings: 3

     

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