COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040619
Chemical Name: (E)-[4-(benzyloxy)phenyl][2-(4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Oc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1)/[O-]

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Molecular Weight: 492.53
Empirical Formula: C30H24N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.261
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 104
Number of rings: 5

     

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