COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL010114
Chemical Name: 11-{(5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}undecanoicacid
Smiles: CN1CCN(CC1)/C=C/1\SC(=S)N(C1=O)CCCCCCCCCCC(=O)O

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Molecular Weight: 427.63
Empirical Formula: C20H33N3O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.023
Rotatable bonds: 12
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 2

     

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