COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563585
Chemical Name: (2E)-1-{4-[2-({(E)-[5-hydroxy-3-methyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene}amino)ethyl]piperazin-1-yl}-3-(3-nitrophenyl)prop-2-en-1-one
Smiles: O=C(N1CCN(CC1)CC/N=C/c1c(C)nn(c1O)c1ccc(cc1)[N+](=O)[O-])/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 533.54
Empirical Formula: C26H27N7O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.809
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 165
Number of rings: 4

     

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