COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045427
Chemical Name: (E)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)c1cccc[nH+]1)/[O-]

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Molecular Weight: 446.46
Empirical Formula: C25H22N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.999
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 4

     

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