COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL071522
Chemical Name: dimethyl2-{[N-(3,5-dimethylphenyl)-N-(methylsulfonyl)alanyl]amino}benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)C(N(S(=O)(=O)C)c1cc(C)cc(c1)C)C)C(=O)OC

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Molecular Weight: 462.52
Empirical Formula: C22H26N2O7S

Physical State: Dry powder
Available Amount: 39 mg

Lipinsky:
logP: 4.539
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 127
Number of rings: 2

     

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