COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007415
Chemical Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(4-hydroxy-3-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: COc1cc(ccc1O)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 414.5
Empirical Formula: C24H30O6

Physical State: Dry powder
Available Amount: 278 mg

Lipinsky:
logP: 3.152
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 100
Number of rings: 3

     

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