COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL094760
Chemical Name: dimethyl1-{1-[(3,4-dimethylphenyl)amino]-1-oxobutan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
Smiles: CCC(n1nnc(c1C(=O)OC)C(=O)OC)C(=O)Nc1ccc(c(c1)C)C

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Molecular Weight: 374.4
Empirical Formula: C18H22N4O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.836
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 2

     

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