COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561757
Chemical Name: (E)-{4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: CC(Oc1ccc(cc1)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)C

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Molecular Weight: 432.48
Empirical Formula: C25H24N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.272
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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