COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK073155
Chemical Name: 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C

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Molecular Weight: 337.38
Empirical Formula: C19H19N3O3

Physical State: Dry powder
Available Amount: 474 mg

Lipinsky:
logP: 2.552
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 3

     

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