COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK821341
Chemical Name: (2E)-3-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-[(4-methylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])OC)c1ccccc1)/C(=O)N1CCN(CC1)C

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Molecular Weight: 472.5
Empirical Formula: C25H24N6O4

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 2.546
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 120
Number of rings: 4

     

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