COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427034
Chemical Name: 2,2'-[(2-methoxynaphthalen-1-yl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Smiles: COc1ccc2c(c1C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C)cccc2

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Molecular Weight: 448.56
Empirical Formula: C28H32O5

Physical State: Dry powder
Available Amount: 672 mg

Lipinsky:
logP: 5.821
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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