COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507682
Chemical Name: ethyl4-[(4Z)-3-hydroxy-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C1=O)O

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Molecular Weight: 447.4
Empirical Formula: C23H17N3O7

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 4.633
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 138
Number of rings: 4

     

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