COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK091414
Chemical Name: butan-2-yl4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC(CC)C

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Molecular Weight: 469.58
Empirical Formula: C27H35NO6

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 3.779
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 90
Number of rings: 3

     

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