COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK983113
Chemical Name: N-{(1Z)-1-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-2-yl}benzamide
Smiles: O=C(/C(=C/c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1)/NC(=O)c1ccccc1)NCCc1ccccc1

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Molecular Weight: 557.61
Empirical Formula: C33H27N5O4

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 5.362
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 5

     

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