COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170512
Chemical Name: 2-phenylethyl4-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1ccc(cc1)c1cc3OCOc3cc1Br)C(=O)CCC2)OCCc1ccccc1

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Molecular Weight: 586.48
Empirical Formula: C32H28BrNO5

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 6.157
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 6

     

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