COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK006305
Chemical Name: methyl4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC

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Molecular Weight: 385.46
Empirical Formula: C22H27NO5

Physical State: Dry powder
Available Amount: 428 mg

Lipinsky:
logP: 2.176
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 3

     

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