COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994811
Chemical Name: 3-({6-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)benzoicacid
Smiles: O=C(Nc1cccc(c1)C(=O)O)CCCCCN1C(=S)S/C(=C/c2cccs2)/C1=O

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Molecular Weight: 460.6
Empirical Formula: C21H20N2O4S3

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 3.841
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 172
Number of rings: 3

     

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