COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037062
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)OC)/[O-])/C1c1ccc(cc1)OC)CC

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Molecular Weight: 452.55
Empirical Formula: C26H32N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.381
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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