COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL381983
Chemical Name: (4Z)-5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1cc(Cl)c(c(c1)Cl)N1N=C(/C(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/C1=O)C

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Molecular Weight: 476.7
Empirical Formula: C21H12Cl3N3O4

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 6.162
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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