COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052599
Chemical Name: 2,2'-(1-phenylprop-1-yne-3,3-diyl)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)C#Cc1ccccc1

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Molecular Weight: 392.49
Empirical Formula: C25H28O4

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 6.545
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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