COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL426962
Chemical Name: 2,2'-[(3,4,5-trimethoxyphenyl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Smiles: COc1c(OC)cc(cc1OC)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C

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Molecular Weight: 458.55
Empirical Formula: C26H34O7

Physical State: Dry powder
Available Amount: 1370 mg

Lipinsky:
logP: 4.114
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 102
Number of rings: 3

     

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