COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK068923
Chemical Name: 2-(ethylsulfanyl)ethyl4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccccc1

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Molecular Weight: 570.5
Empirical Formula: C28H28BrNO5S

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 5.469
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 5

     

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