COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL065275
Chemical Name: 3-phenylpropyl5-{[(2-fluoro-5-nitrophenyl)carbamothioyl]amino}-5-oxopentanoate
Smiles: O=C(OCCCc1ccccc1)CCCC(=O)NC(=S)Nc1cc(ccc1F)[N+](=O)[O-]

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Molecular Weight: 447.49
Empirical Formula: C21H22FN3O5S

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 4.395
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 2

     

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