COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001204
Chemical Name: 1-butyl-3-hydroxy-5-(3-nitrophenyl)-4-[(4-nitrophenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCN1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 425.4
Empirical Formula: C21H19N3O7

Available Amount: 0 mg

Lipinsky:
logP: 3.991
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 149
Number of rings: 3

     

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