COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK808862
Chemical Name: (2E)-N-benzyl-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)/C(=O)NCc1ccccc1

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Molecular Weight: 449.47
Empirical Formula: C26H19N5O3

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 4.769
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 116
Number of rings: 4

     

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