COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL008831
Chemical Name: 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2

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Molecular Weight: 309.32
Empirical Formula: C17H15N3O3

Available Amount: 0 mg

Lipinsky:
logP: 1.519
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 3

     

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