COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK068992
Chemical Name: 2-propoxyethyl4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCCOCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OCC)O)C(=O)CC(C2)(C)C

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Molecular Weight: 492.01
Empirical Formula: C26H34ClNO6

Physical State: Dry powder
Available Amount: 174 mg

Lipinsky:
logP: 3.724
Rotatable bonds: 11
H-donors: 2
H-acceptors: 6
PSA: 94
Number of rings: 3

     

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