COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406004
Chemical Name: (4E)-5-hydroxy-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1c1ccc(o1)/C=C/1\C(=NN(C1=O)c1ccccc1)O)[N+](=O)[O-]

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Molecular Weight: 405.37
Empirical Formula: C21H15N3O6

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 4.179
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 121
Number of rings: 4

     

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