COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560704
Chemical Name: (E)-[2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CCOc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-]

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Molecular Weight: 489.53
Empirical Formula: C27H27N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.732
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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