COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563946
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CCCOc1ccc(cc1)C1N(CCC[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: 497.59
Empirical Formula: C27H35N3O6

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.294
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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