COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL383229
Chemical Name: (4Z)-2-(4-bromophenyl)-5-hydroxy-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Brc1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C1=O)O

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Molecular Weight: 454.24
Empirical Formula: C20H12BrN3O5

Physical State: Dry powder
Available Amount: 299 mg

Lipinsky:
logP: 4.895
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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