COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148930
Chemical Name: (E)-{2-(2,3-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)CCC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 510.59
Empirical Formula: C28H34N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.176
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 4

     

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