COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056271
Chemical Name: (E)-{4-[(2-methylbenzyl)oxy]phenyl}[2-(5-methylfuran-2-yl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1ccc(o1)C1/C(=C(/c2ccc(cc2)OCc2ccccc2C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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Molecular Weight: 494.55
Empirical Formula: C30H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.079
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 5

     

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