COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567987
Chemical Name: (E)-[4-(benzyloxy)phenyl][4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc(cc2)OCc2ccccc2)/[O-])/C(N1Cc1ccc[nH+]c1)c1ccccc1

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Molecular Weight: 476.53
Empirical Formula: C30H24N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.998
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 5

     

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