COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL383278
Chemical Name: (4Z)-4-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-hydroxy-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1cccc(c1)N1N=C(/C(=C/c2ccc(o2)c2ccc(cc2Br)[N+](=O)[O-])/C1=O)O

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Molecular Weight: 468.26
Empirical Formula: C21H14BrN3O5

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 5.043
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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