COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219817
Chemical Name: 4-[(4E)-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: O=C1N(N=C(/C/1=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])C(F)(F)F)c1ccc(cc1)C(=O)O

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Molecular Weight: 471.35
Empirical Formula: C22H12F3N3O6

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 6.182
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 128
Number of rings: 4

     

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