COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566635
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-nitrophenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)[N+](=O)[O-])/[O-])/C1c1ccc(c(c1)OC)O)CC

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Molecular Weight: 469.49
Empirical Formula: C24H27N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.113
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 140
Number of rings: 3

     

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