COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK723040
Chemical Name: 2-{(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)[3-(hydroxymethyl)-4-methoxyphenyl]methyl}-5,5-dimethylcyclohexane-1,3-dione
Smiles: COc1ccc(cc1CO)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 428.53
Empirical Formula: C25H32O6

Physical State: Dry powder
Available Amount: 41 mg

Lipinsky:
logP: 2.915
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 100
Number of rings: 3

     

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