COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528404
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)CCC[NH+](C)C)/[O-])C

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Molecular Weight: 466.58
Empirical Formula: C27H34N2O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.507
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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