COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK583667
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-nitrophenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)[N+](=O)[O-])/[O-])/C1c1cccc(c1)[N+](=O)[O-])CC

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Molecular Weight: 468.47
Empirical Formula: C23H24N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.875
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 156
Number of rings: 3

     

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