COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173007
Chemical Name: 2-amino-4-(3-methylphenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1cccc(c1)C)C(=O)CCC2)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 400.44
Empirical Formula: C23H20N4O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.712
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 115
Number of rings: 4

     

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