COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046239
Chemical Name: (E)-(3-methoxyphenyl)[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1OC)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 430.46
Empirical Formula: C25H22N2O5

Physical State: Dry powder
Available Amount: 281 mg

Lipinsky:
logP: 3.288
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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