COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809702
Chemical Name: (2Z)-2-cyano-N-(3-methoxypropyl)-3-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Smiles: COCCCNC(=O)/C(=C\c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1)/C#N

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Molecular Weight: 431.45
Empirical Formula: C23H21N5O4

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 2.913
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 3

     

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