COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198840
Chemical Name: 3,3,6,6-tetramethyl-9-[4-(prop-2-yn-1-yloxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: C#CCOc1ccc(cc1)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C

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Molecular Weight: 404.51
Empirical Formula: C26H28O4

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 4.108
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 52
Number of rings: 4

     

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