COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064970
Chemical Name: 2-phenylethyl4-{[(2-methyl-4-nitrophenyl)carbamothioyl]amino}-4-oxobutanoate
Smiles: O=C(NC(=S)Nc1ccc(cc1C)[N+](=O)[O-])CCC(=O)OCCc1ccccc1

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Molecular Weight: 415.47
Empirical Formula: C20H21N3O5S

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 4.371
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 2

     

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