COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK054727
Chemical Name: (2E)-N-{1-[(4-methoxyphenyl)carbonyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-3-(4-nitrophenyl)-N-phenylprop-2-enamide
Smiles: COc1ccc(cc1)C(=O)N1C(C)CC(c2c1cccc2)N(c1ccccc1)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 547.61
Empirical Formula: C33H29N3O5

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 6.459
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 95
Number of rings: 5

     

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