COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK363478
Chemical Name: 2-phenoxyethyl4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1

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Molecular Weight: 556.45
Empirical Formula: C28H30BrNO6

Physical State: Dry powder
Available Amount: 275 mg

Lipinsky:
logP: 4.67
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 94
Number of rings: 4

     

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