COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK063885
Chemical Name: methyl4-(3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC

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Molecular Weight: 369.46
Empirical Formula: C22H27NO4

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 3.123
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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