COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK586037
Chemical Name: (1E,2E)-1-{2-(2,5-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: COc1ccc(c(c1)C1/C(=C(/C=C/c2ccccc2)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)OC

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Molecular Weight: 492.57
Empirical Formula: C28H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.723
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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