COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038986
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)OC)/[O-])/C1c1cc(OC)c(c(c1)OC)OC)CC

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Molecular Weight: 512.6
Empirical Formula: C28H36N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.905
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 3

     

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