COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056742
Chemical Name: (E)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)OCc2ccccc2C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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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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