COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561668
Chemical Name: 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1[N+](=O)[O-]

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Molecular Weight: 444.83
Empirical Formula: C21H17ClN2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.334
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 140
Number of rings: 3

     

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