COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK754371
Chemical Name: 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc(cc1)[N+](=O)[O-])N

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Molecular Weight: 444.49
Empirical Formula: C25H24N4O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.364
Rotatable bonds: 0
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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