COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL176457
Chemical Name: methyl4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(C)NC2=C(C1c1cc(Br)ccc1OCc1ccc(cc1)Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 544.87
Empirical Formula: C27H27BrClNO4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.874
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 4

     

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