COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561691
Chemical Name: (E)-[4-(benzyloxy)-2-methylphenyl][2-(3-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Brc1cccc(c1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCc1ccccc1)/[O-]

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Molecular Weight: 569.45
Empirical Formula: C31H25BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.229
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 5

     

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