COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419939
Chemical Name: (4E)-4-{2-[(2-chlorobenzyl)oxy]benzylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)/C(=NN1c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 509.95
Empirical Formula: C29H20ClN3O4

Physical State: Dry powder
Available Amount: 446 mg

Lipinsky:
logP: 6.366
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 5

     

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