COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149275
Chemical Name: (E)-[2-methyl-4-(2-methylpropoxy)phenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Smiles: CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCC[NH+]1CCOCC1)/[O-])C

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Molecular Weight: 498.64
Empirical Formula: C27H34N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.527
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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