COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL065268
Chemical Name: 3-phenylpropyl5-{[(4-chloro-3-nitrophenyl)carbamothioyl]amino}-5-oxopentanoate
Smiles: O=C(OCCCc1ccccc1)CCCC(=O)NC(=S)Nc1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 463.94
Empirical Formula: C21H22ClN3O5S

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 5.412
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 2

     

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