COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427033
Chemical Name: 4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C

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Molecular Weight: 412.48
Empirical Formula: C24H28O6

Physical State: Dry powder
Available Amount: 255 mg

Lipinsky:
logP: 4.352
Rotatable bonds: 5
H-donors: 3
H-acceptors: 6
PSA: 111
Number of rings: 3

     

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