COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187387
Chemical Name: 3-[(2-chloro-4-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoicacid
Smiles: C=CCN1C(=S)NC(=O)/C(=C\c2ccc(c(c2)Cl)OCc2cccc(c2)C(=O)O)/C1=O

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Molecular Weight: 456.91
Empirical Formula: C22H17ClN2O5S

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 4.202
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 128
Number of rings: 3

     

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