COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK957795
Chemical Name: (4E)-4-{[(4-methylpiperazin-1-yl)amino]methylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CN1CCN(CC1)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 406.44
Empirical Formula: C21H22N6O3

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 1.103
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 97
Number of rings: 4

     

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