COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK754901
Chemical Name: 2-amino-4-(5-bromothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CCC2)c1cccc(c1)C(F)(F)F

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Molecular Weight: 494.33
Empirical Formula: C21H15BrF3N3OS

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 3.623
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 98
Number of rings: 4

     

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