COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049203
Chemical Name: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene][4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/[O-])C

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Molecular Weight: 443.5
Empirical Formula: C26H25N3O4

Physical State: Dry powder
Available Amount: 330 mg

Lipinsky:
logP: 3.26
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 96
Number of rings: 4

     

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