COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK877283
Chemical Name: ethyl5-tert-butyl-5-hydroxy-1-[(3-nitrophenyl)carbonyl]-4,5-dihydro-1H-pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NN(C(C1)(O)C(C)(C)C)C(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 363.37
Empirical Formula: C17H21N3O6

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 1.327
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 125
Number of rings: 2

     

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