COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004972
Chemical Name: pentyl4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)CC(C2)(C)C

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Molecular Weight: 441.57
Empirical Formula: C26H35NO5

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 4.301
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 3

     

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