COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL087278
Chemical Name: N~2~-(3,5-dimethylphenyl)-N~2~-(methylsulfonyl)-N-{4-[(phenylsulfanyl)methyl]phenyl}alaninamide
Smiles: O=C(C(N(S(=O)(=O)C)c1cc(C)cc(c1)C)C)Nc1ccc(cc1)CSc1ccccc1

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Molecular Weight: 468.64
Empirical Formula: C25H28N2O3S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.871
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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