COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558847
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCC[NH+](C)C)/[O-])C

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Molecular Weight: 456.61
Empirical Formula: C25H32N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.921
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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