COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055869
Chemical Name: (E)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Smiles: COc1cc(ccc1OC)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1cccc(c1)C)/[O-]

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Molecular Weight: 550.61
Empirical Formula: C33H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.195
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 5

     

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