COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172765
Chemical Name: N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccc(cn1)Br

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Molecular Weight: 512.47
Empirical Formula: C25H26BrN3O2S

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 4.788
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 4

     

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