COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562431
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(3-methoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)OCC)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC

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Molecular Weight: 524.66
Empirical Formula: C30H40N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.767
Rotatable bonds: 12
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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