COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL402871
Chemical Name: N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-2-(4-nitro-1H-pyrazol-1-yl)butanamide
Smiles: CCC(n1ncc(c1)[N+](=O)[O-])C(=O)Nc1cc(Sc2ccc(cc2)C)cc(c1)[N+](=O)[O-]

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Molecular Weight: 441.47
Empirical Formula: C20H19N5O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.634
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 163
Number of rings: 3

     

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