COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147959
Chemical Name: (E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)Cc1ccc[nH+]c1)/[O-])C

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Molecular Weight: 517.54
Empirical Formula: C28H27N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.794
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 142
Number of rings: 4

     

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