COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL176459
Chemical Name: ethyl4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)ccc1OCc1ccc(cc1)Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 558.9
Empirical Formula: C28H29BrClNO4

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 6.405
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 4

     

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