COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL065276
Chemical Name: 3-phenylpropyl5-{[(4-nitrophenyl)carbamothioyl]amino}-5-oxopentanoate
Smiles: O=C(NC(=S)Nc1ccc(cc1)[N+](=O)[O-])CCCC(=O)OCCCc1ccccc1

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Molecular Weight: 429.5
Empirical Formula: C21H23N3O5S

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 4.701
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 2

     

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