COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK395160
Chemical Name: (2E)-N-(2-methyl-1-octanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(4-nitrophenyl)-N-phenylprop-2-enamide
Smiles: CCCCCCCC(=O)N1C(C)CC(c2c1cccc2)N(c1ccccc1)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 539.67
Empirical Formula: C33H37N3O4

Physical State: Dry powder
Available Amount: 503 mg

Lipinsky:
logP: 8.638
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 86
Number of rings: 4

     

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