COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK821892
Chemical Name: (2E)-2-cyano-N-[3-(1H-imidazol-1-yl)propyl]-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)NCCCn1cncc1

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Molecular Weight: 467.49
Empirical Formula: C25H21N7O3

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 2.872
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 134
Number of rings: 4

     

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