COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427029
Chemical Name: 2,2'-[(1E)-1-phenylprop-1-ene-3,3-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Smiles: OC1=C(C(=O)CC(C1)(C)C)C(C1=C(O)CC(CC1=O)(C)C)/C=C/c1ccccc1

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Molecular Weight: 394.51
Empirical Formula: C25H30O4

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 5.106
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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