COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507619
Chemical Name: (4Z)-2-(3,4-dimethylphenyl)-5-hydroxy-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: OC1=NN(C(=O)/C/1=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])c1ccc(c(c1)C)C

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Molecular Weight: 403.39
Empirical Formula: C22H17N3O5

Physical State: Dry powder
Available Amount: 808 mg

Lipinsky:
logP: 5.044
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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