COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL393714
Chemical Name: 2,2'-[(1-ethyl-1H-pyrazol-4-yl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Smiles: CCn1ncc(c1)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C

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Molecular Weight: 386.49
Empirical Formula: C22H30N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.156
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 92
Number of rings: 3

     

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