COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428834
Chemical Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1/C(=C/c2ccc3c(c2)OCO3)/C(=NN1c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 413.39
Empirical Formula: C23H15N3O5

Physical State: Dry powder
Available Amount: 392 mg

Lipinsky:
logP: 4.231
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 5

     

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