COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL506258
Chemical Name: (4E)-4-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C\c1ccc(o1)c1ccc(cc1Cl)[N+](=O)[O-])C(F)(F)F)c1ccccc1

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Molecular Weight: 461.78
Empirical Formula: C21H11ClF3N3O4

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 7.165
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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