COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK676201
Chemical Name: (4E)-4-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)N1N=C(/C(=C\c2ccc(o2)c2cc(ccc2O)[N+](=O)[O-])/C1=O)C

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Molecular Weight: 403.39
Empirical Formula: C22H17N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.035
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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