COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK622706
Chemical Name: methyl(5E)-5-(1-aminooctadecylidene)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Smiles: CCCCCCCCCCCCCCCCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/N

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Molecular Weight: 463.7
Empirical Formula: C28H49NO4

Physical State: Dry powder
Available Amount: 249 mg

Lipinsky:
logP: 9.19
Rotatable bonds: 18
H-donors: 2
H-acceptors: 4
PSA: 86
Number of rings: 1

     

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