COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560902
Chemical Name: (E)-[4-(benzyloxy)-2-methylphenyl][4,5-dioxo-2-(3-phenoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1cc(OCc2ccccc2)ccc1/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 582.66
Empirical Formula: C37H30N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.449
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 6

     

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