COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043814
Chemical Name: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 415.45
Empirical Formula: C24H21N3O4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.31
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 96
Number of rings: 4

     

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