COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048166
Chemical Name: 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 459.46
Empirical Formula: C24H21N5O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.014
Rotatable bonds: 0
H-donors: 2
H-acceptors: 5
PSA: 161
Number of rings: 4

     

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