COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK676725
Chemical Name: 7-bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
Smiles: Brc1ccc2c(c1)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O2)CC(CC1=O)(C)C

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Molecular Weight: 445.35
Empirical Formula: C23H25BrO4

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 5.391
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 63
Number of rings: 4

     

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