COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL065273
Chemical Name: 3-phenylpropyl5-{[(2-hydroxy-4-nitrophenyl)carbamothioyl]amino}-5-oxopentanoate
Smiles: O=C(NC(=S)Nc1ccc(cc1O)[N+](=O)[O-])CCCC(=O)OCCCc1ccccc1

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Molecular Weight: 445.5
Empirical Formula: C21H23N3O6S

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 5.054
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 165
Number of rings: 2

     

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