COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046974
Chemical Name: (E)-{2-(2,5-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COc1ccc(c(c1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-])OC

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Molecular Weight: 541.6
Empirical Formula: C28H35N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.803
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 134
Number of rings: 4

     

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