COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148161
Chemical Name: (E)-(4-butoxy-3-methylphenyl){1-[3-(dimethylammonio)propyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCC[NH+](C)C)/[O-]

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Molecular Weight: 496.6
Empirical Formula: C28H36N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.396
Rotatable bonds: 12
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 3

     

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