COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK031824
Chemical Name: (2E)-1-(6-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Smiles: COc1ccc2c(c1)C(=CC(N2C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])(C)C)C

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Molecular Weight: 378.43
Empirical Formula: C22H22N2O4

Physical State: Dry powder
Available Amount: 452 mg

Lipinsky:
logP: 5.279
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 75
Number of rings: 3

     

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