COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK026612
Chemical Name: (4E)-5-(4-methoxyphenyl)-4-{[(4-methylpiperazin-1-yl)amino]methylidene}-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)C1=NN(C(=O)/C/1=C/NN1CCN(CC1)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 436.47
Empirical Formula: C22H24N6O4

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 1.019
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 4

     

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