COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK756170
Chemical Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1ccccc1C(F)(F)F

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Molecular Weight: 453.42
Empirical Formula: C24H18F3N3O3

Physical State: Dry powder
Available Amount: 8 mg

Lipinsky:
logP: 2.955
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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