COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838131
Chemical Name: (3E)-4-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]pent-3-en-2-one
Smiles: COc1ccc(cc1)C1CC(=NN1/C(=C/C(=O)C)/C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 379.42
Empirical Formula: C21H21N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.368
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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