COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564920
Chemical Name: 4-[(3E)-3-[hydroxy(4-methylphenyl)methylidene]-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccccc1[N+](=O)[O-]

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Molecular Weight: 424.41
Empirical Formula: C22H20N2O7

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 3.27
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 140
Number of rings: 3

     

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