COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037449
Chemical Name: 2-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-N,N-diethylethanaminium
Smiles: CC[NH+](CCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O)CC

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Saltdata: Cl-
Molecular Weight: 458.92
Empirical Formula: C23H25ClN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.621
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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