COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082049
Chemical Name: 2- (ethylsulfanyl)ethyl4- (3- bromo- 4- fluorophenyl)- 7- (2- methoxyphenyl)- 2- methyl- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)F)C(=O)CC(C2)c1ccccc1OC

Download SD file Download MOL file View 3D-structure Show MSDS

Molecular Weight: 574.51
Empirical Formula: C28H29BrFNO4S

Physical State: Dry powder
Available Amount: 590 mg

Lipinsky:
logP: 5.355
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 89
Number of rings: 4

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