COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673116
Chemical Name: 2-{(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methyl}-5,5-dimethylcyclohexane-1,3-dione
Smiles: C=CCOc1ccc(cc1OC)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 454.56
Empirical Formula: C27H34O6

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 4.726
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 3

     

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