COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL506257
Chemical Name: (4E)-4-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=C\1/C(=O)N(N=C1C(F)(F)F)c1ccccc1

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Molecular Weight: 461.78
Empirical Formula: C21H11ClF3N3O4

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 7.188
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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