COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427028
Chemical Name: 2,2'-({4-[methyl(phenyl)amino]phenyl}methanediyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Smiles: CN(c1ccccc1)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: 473.61
Empirical Formula: C30H35NO4

Physical State: Dry powder
Available Amount: 874 mg

Lipinsky:
logP: 6.357
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 77
Number of rings: 4

     

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