COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK234917
Chemical Name: 3,3,6,6-tetramethyl-9-[4-(phenylethynyl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)C#Cc1ccccc1)C1=C(O2)CC(CC1=O)(C)C

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Molecular Weight: 450.58
Empirical Formula: C31H30O3

Physical State: Dry powder
Available Amount: 254 mg

Lipinsky:
logP: 6.717
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 5

     

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