COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297922
Chemical Name: methyl3-butanoyl-4-(butylamino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Smiles: CCCC(=O)C1=C(NCCCC)CC(C(C1=O)C(=O)OC)(C)C

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Molecular Weight: 323.43
Empirical Formula: C18H29NO4

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 3.628
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 72
Number of rings: 1

     

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