COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051676
Chemical Name: 2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1cccc(c1)OC)C(=O)CC(C2)(C)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 444.49
Empirical Formula: C25H24N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.04
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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