COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL381985
Chemical Name: (4E)-4-{[5-(4-bromo-3-nitrophenyl)furan-2-yl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1cccc(c1)N1N=C(/C(=C\c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])Br)/C1=O)C

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Molecular Weight: 486.71
Empirical Formula: C21H13BrClN3O4

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 5.552
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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