COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150148
Chemical Name: 4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenyl3-methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1ccc(cc1OC)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C

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Molecular Weight: 548.63
Empirical Formula: C32H36O8

Physical State: Dry powder
Available Amount: 577 mg

Lipinsky:
logP: 6.14
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 119
Number of rings: 4

     

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