COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473888
Chemical Name: (2E)-3-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(3-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1c[nH]nc1c1ccc(cc1)Br)/C(=O)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 438.24
Empirical Formula: C19H12BrN5O3

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 4.682
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 127
Number of rings: 3

     

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