COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK573825
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-[4-(dimethylamino)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(4-nitrophenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)[N+](=O)[O-])/[O-])/C1c1ccc(cc1)N(C)C)CC

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Molecular Weight: 466.54
Empirical Formula: C25H30N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.254
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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