COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381460
Chemical Name: 3-[(5E)-5-(1-ethyl-6-methylquinolin-2(1H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: CCn1/c(=C\2/SC(=S)N(C2=O)c2cccc(c2)C(=O)O)/ccc2c1ccc(c2)C

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Saltdata: (C2H5)3N
Molecular Weight: 422.53
Empirical Formula: C22H18N2O3S2

Physical State: Dry powder
Available Amount: 687 mg

Lipinsky:
logP: 4.406
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 118
Number of rings: 4

     

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