COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472945
Chemical Name: (2E)-2-cyano-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1c(C)nn(c1C)c1ccccc1)/C(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 387.4
Empirical Formula: C21H17N5O3

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 4.66
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 116
Number of rings: 3

     

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