COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK770825
Chemical Name: 5-methyl-4-[(3-nitrophenyl)carbonyl]-2-pentyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCCN1N=C(C(C1=O)C(=O)c1cccc(c1)[N+](=O)[O-])C

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Molecular Weight: 317.34
Empirical Formula: C16H19N3O4

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.081
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 95
Number of rings: 2

     

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