COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563790
Chemical Name: (E)-(7-methoxy-1-benzofuran-2-yl)[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 454.48
Empirical Formula: C27H22N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.124
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 5

     

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