COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045046
Chemical Name: (E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CCC[NH+](C)C)/[O-])C

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Molecular Weight: 529.47
Empirical Formula: C27H33BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.015
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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