COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994910
Chemical Name: 3-{(5Z)-5-[3-methoxy-4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoicacid
Smiles: CCCCCCCCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)CCC(=O)O

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Molecular Weight: 451.61
Empirical Formula: C22H29NO5S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.221
Rotatable bonds: 14
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 2

     

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