COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK019648
Chemical Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3,4,5-trimethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: COc1c(OC)cc(cc1OC)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 458.55
Empirical Formula: C26H34O7

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.622
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 99
Number of rings: 3

     

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