COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047454
Chemical Name: (E)-{2-(3,4-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: COc1cc(ccc1OC)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCC(C)C)/[O-]

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Molecular Weight: 552.67
Empirical Formula: C31H40N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.587
Rotatable bonds: 11
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 4

     

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