COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001171
Chemical Name: 1-hexyl-3-hydroxy-4-[(4-methylphenyl)carbonyl]-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCN1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc(cc1)C

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Molecular Weight: 422.48
Empirical Formula: C24H26N2O5

Available Amount: 0 mg

Lipinsky:
logP: 5.553
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 103
Number of rings: 3

     

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