COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK405031
Chemical Name: 3-butan-2-yl6-methyl4-(3-ethoxy-4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OC(CC)C

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Molecular Weight: 471.55
Empirical Formula: C26H33NO7

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 3.033
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 111
Number of rings: 3

     

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