COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172191
Chemical Name: (4Z)-4-{5-bromo-2-[(2-chlorobenzyl)oxy]benzylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Brc1ccc(c(c1)/C=C/1\C(=O)N(N=C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-])OCc1ccccc1Cl

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Molecular Weight: 588.84
Empirical Formula: C29H19BrClN3O4

Physical State: Dry powder
Available Amount: 26 mg

Lipinsky:
logP: 7.459
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 5

     

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