COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198850
Chemical Name: 9-(3-bromo-5-ethoxy-4-propoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: CCCOc1c(Br)cc(cc1OCC)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C

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Molecular Weight: 531.49
Empirical Formula: C28H35BrO5

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 6.178
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 61
Number of rings: 4

     

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