COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148210
Chemical Name: (E)-{2-[3-(benzyloxy)phenyl]-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-])/C1c1cccc(c1)OCc1ccccc1)CC

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Molecular Weight: 554.69
Empirical Formula: C34H38N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.505
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 5

     

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