COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL306607
Chemical Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-ethylpiperazin-1-yl)ethanone
Smiles: CCN1CCN(CC1)CC(=O)c1cc(n(c1C)c1ccc(c(c1)C)C)C

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Saltdata: 2C2H2O4
Molecular Weight: 353.51
Empirical Formula: C22H31N3O

Available Amount: 0 mg

Lipinsky:
logP: 4.411
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 28
Number of rings: 3

     

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