COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192669
Chemical Name: 2-[(2-chloro-4-{(Z)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)methyl]benzonitrile
Smiles: CCOc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2cccc(c2Cl)Cl)cc(c1OCc1ccccc1C#N)Cl

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Molecular Weight: 586.88
Empirical Formula: C27H18Cl3N3O4S

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 6.559
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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