COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559816
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: C=CCOc1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-]

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Molecular Weight: 481.55
Empirical Formula: C26H31N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.912
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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