COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564251
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Smiles: COc1ccc(cc1)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1cc2c(o1)c(OC)ccc2)/[O-]

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Molecular Weight: 492.57
Empirical Formula: C28H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.673
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 96
Number of rings: 4

     

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