COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040811
Chemical Name: (E)-[2-(4-methoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

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Molecular Weight: 520.58
Empirical Formula: C32H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.373
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 5

     

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