COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL392326
Chemical Name: (2E)-1-(4-bromophenyl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
Smiles: COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])/C=C/C(=O)c1ccc(cc1)Br

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Molecular Weight: 442.27
Empirical Formula: C20H16BrN3O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.734
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 89
Number of rings: 3

     

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