COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039718
Chemical Name: (E)-(4-chlorophenyl){1-[2-(diethylammonio)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/[O-])/C1c1ccc(cc1)[N+](=O)[O-])CC

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Saltdata: HCl
Molecular Weight: 457.91
Empirical Formula: C23H24ClN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.621
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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