COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039851
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Smiles: CC[NH+](CCN1C(c2cc(OC)c(c(c2)OC)OC)/C(=C(/c2cc3c(o2)c(OC)ccc3)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 538.6
Empirical Formula: C29H34N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.072
Rotatable bonds: 9
H-donors: 1
H-acceptors: 8
PSA: 114
Number of rings: 4

     

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