COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380936
Chemical Name: 2,2'-{[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]methanediyl}bis(5,5-dimethylcyclohexane-1,3-dione)
Smiles: O=C1CC(C)(C)CC(=O)C1C(c1c(C)nn(c1C)Cc1ccccc1Cl)C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 511.06
Empirical Formula: C29H35ClN2O4

Physical State: Dry powder
Available Amount: 8 mg

Lipinsky:
logP: 4.073
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 86
Number of rings: 4

     

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