COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL175728
Chemical Name: ethyl4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC2=C(C1c1cc(COc3ccccc3Br)c(cc1C)C)C(=O)CC(C2)(C)C

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Molecular Weight: 552.51
Empirical Formula: C30H34BrNO4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.27
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 4

     

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