COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683928
Chemical Name: N-{2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl}-beta-alanine
Smiles: CCOc1cc(ccc1OCC)CC(=O)C1=C(NCCC(=O)O)CC(CC1=O)(C)C

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Molecular Weight: 417.5
Empirical Formula: C23H31NO6

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 3.309
Rotatable bonds: 11
H-donors: 2
H-acceptors: 6
PSA: 101
Number of rings: 2

     

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