COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040164
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Smiles: COc1cccc(c1)C1/C(=C(/c2ccncc2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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Molecular Weight: 395.46
Empirical Formula: C22H25N3O4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 1.851
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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