COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562822
Chemical Name: (E)-[2-(2,5-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methylphenyl)methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)OC

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Molecular Weight: 444.49
Empirical Formula: C26H24N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.738
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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