COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK010423
Chemical Name: 5-methyl-2-(4-nitrophenyl)-4-{(E)-[(2-{4-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]piperazin-1-yl}ethyl)imino]methyl}-1,2-dihydro-3H-pyrazol-3-one
Smiles: O=C(N1CCN(CC1)CC/N=C/c1c(C)[nH]n(c1=O)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: 70 mg

Lipinsky:
logP: 3.337
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 159
Number of rings: 4

     

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