COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994494
Chemical Name: (5Z)-3-[3-(azepan-1-yl)-3-oxopropyl]-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-4-one
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)CCC(=O)N2CCCCCC2)cc(c1OC)OC

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Molecular Weight: 464.61
Empirical Formula: C22H28N2O5S2

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 2.844
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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