COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809385
Chemical Name: (2Z)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(prop-2-en-1-yl)prop-2-enamide
Smiles: C=CCNC(=O)/C(=C\c1cn(nc1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)/C#N

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Molecular Weight: 399.41
Empirical Formula: C22H17N5O3

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 3.669
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 116
Number of rings: 3

     

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