COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174682
Chemical Name: ethyl4-{4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccc(cc1)Br)C)C(=O)CC(C2)(C)C

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Molecular Weight: 544.51
Empirical Formula: C27H30BrNO4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.948
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 4

     

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