COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK732200
Chemical Name: (4E)-2-(4-nitrophenyl)-4-[4-(pentyloxy)benzylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCCOc1ccc(cc1)/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 455.51
Empirical Formula: C27H25N3O4

Physical State: Dry powder
Available Amount: 251 mg

Lipinsky:
logP: 6.181
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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