COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559736
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Smiles: COc1cc(cc(c1OC)OC)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1cc2c(o1)c(OC)ccc2)/[O-]

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Molecular Weight: 510.54
Empirical Formula: C27H30N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.009
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 114
Number of rings: 4

     

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