COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK084152
Chemical Name: 2-(propan-2-yloxy)ethyl4-(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)OCCOC(C)C

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Molecular Weight: 522.44
Empirical Formula: C25H32BrNO6

Physical State: Dry powder
Available Amount: 174 mg

Lipinsky:
logP: 3.329
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 94
Number of rings: 3

     

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