COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173712
Chemical Name: ethyl4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1ccc(cc1Br)Cl)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 588.93
Empirical Formula: C29H31BrClNO5

Physical State: Dry powder
Available Amount: 25 mg

Lipinsky:
logP: 5.902
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 4

     

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