COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL563066
Chemical Name: methyl3-butanoyl-4-(heptylamino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Smiles: CCCC(=O)C1=C(NCCCCCCC)CC(C(C1=O)C(=O)OC)(C)C

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Molecular Weight: 365.51
Empirical Formula: C21H35NO4

Available Amount: 0 mg

Lipinsky:
logP: 5.222
Rotatable bonds: 11
H-donors: 1
H-acceptors: 4
PSA: 72
Number of rings: 1

     

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