COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446035
Chemical Name: 4-[(1Z)-N-benzylethanimidoyl]-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCCc1[nH]n(c(=O)c1/C(=N\Cc1ccccc1)/C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 378.43
Empirical Formula: C21H22N4O3

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 4.478
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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