COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416202
Chemical Name: 2-[{3-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}(2-hydroxy-6-oxocyclohex-1-en-1-yl)methylidene]cyclohexane-1,3-dione
Smiles: COc1cc(cc(c1OCc1ccccc1Cl)Cl)C(=C1C(=O)CCCC1=O)C1=C(O)CCCC1=O

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Molecular Weight: 515.39
Empirical Formula: C27H24Cl2O6

Physical State: Dry powder
Available Amount: 174 mg

Lipinsky:
logP: 4.831
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 4

     

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