COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL398701
Chemical Name: {4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}(3,4-dihydroquinolin-1(2H)-yl)methanone
Smiles: O=C(N1CCCc2c1cccc2)c1ccc(cc1)Cn1nc(c(c1)Br)[N+](=O)[O-]

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Molecular Weight: 441.28
Empirical Formula: C20H17BrN4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.501
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 83
Number of rings: 4

     

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