COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK822019
Chemical Name: N-[2,2,2-trichloro-1-(4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]benzamide
Smiles: C=CCN1C(=S)S/C(=C\c2ccc(cc2)OC(C(Cl)(Cl)Cl)NC(=O)c2ccccc2)/C1=O

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Molecular Weight: 527.88
Empirical Formula: C22H17Cl3N2O3S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 5.547
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 116
Number of rings: 3

     

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