COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK033667
Chemical Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-{[(2-{4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}ethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C(N1CCN(CC1)CCN/C=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/C=C/c1ccccc1

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Molecular Weight: 488.55
Empirical Formula: C26H28N6O4

Physical State: Dry powder
Available Amount: 704 mg

Lipinsky:
logP: 2.316
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 4

     

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