COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741739
Chemical Name: (4E)-4-{[(2-methoxyethyl)amino]methylidene}-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C/NCCOC)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 332.36
Empirical Formula: C16H20N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.67
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 2

     

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