COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK234918
Chemical Name: 9-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)C#CC(O)(C)C)C1=C(O2)CC(CC1=O)(C)C

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Molecular Weight: 432.56
Empirical Formula: C28H32O4

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 4.958
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 63
Number of rings: 4

     

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