COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK618105
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 396.44
Empirical Formula: C22H24N2O5

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.272
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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