COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009351
Chemical Name: 2,2'-({4-[(2-fluorobenzyl)oxy]phenyl}methanediyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Smiles: OC1=C(C(=O)CC(C1)(C)C)C(C1=C(O)CC(CC1=O)(C)C)c1ccc(cc1)OCc1ccccc1F

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Molecular Weight: 492.59
Empirical Formula: C30H33FO5

Physical State: Dry powder
Available Amount: 525 mg

Lipinsky:
logP: 6.298
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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