COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548372
Chemical Name: 2-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-3-phenylpropanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

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Molecular Weight: 497.68
Empirical Formula: C27H31NO4S2

Physical State: Dry powder
Available Amount: 335 mg

Lipinsky:
logP: 7.55
Rotatable bonds: 11
H-donors: 1
H-acceptors: 4
PSA: 124
Number of rings: 3

     

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