COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148387
Chemical Name: (E)-{2-[4-(benzyloxy)-3-methoxyphenyl]-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/[O-])/C1c1ccc(c(c1)OC)OCc1ccccc1)CC

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Molecular Weight: 584.71
Empirical Formula: C35H40N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.327
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 5

     

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