COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL495475
Chemical Name: N-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)benzyl]-3-nitroaniline
Smiles: C#CCOc1c(Br)cc(cc1OC)CNc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 391.22
Empirical Formula: C17H15BrN2O4

Physical State: Dry powder
Available Amount: 927 mg

Lipinsky:
logP: 3.89
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 76
Number of rings: 2

     

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