COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043768
Chemical Name: (E)-[4-(benzyloxy)-2-methylphenyl]{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCN1C(c2cccnc2)/C(=C(/c2ccc(cc2C)OCc2ccccc2)\[O-])/C(=O)C1=O)C

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Molecular Weight: 471.56
Empirical Formula: C28H29N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.872
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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