COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK363345
Chemical Name: 2-ethoxyethyl4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 522.44
Empirical Formula: C25H32BrNO6

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 3.793
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 83
Number of rings: 3

     

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