COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037493
Chemical Name: (E)-(4-butoxy-2-methylphenyl){1-[3-(dimethylammonio)propyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)CCC[NH+](C)C)/[O-]

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Molecular Weight: 466.58
Empirical Formula: C27H34N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.691
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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