COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045195
Chemical Name: (4E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxybenzylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1OC)/C=C/1\C(=NN(C1=O)c1scc(n1)c1ccc(cc1)Br)c1ccccc1

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Molecular Weight: 546.44
Empirical Formula: C27H20BrN3O3S

Physical State: Dry powder
Available Amount: 184 mg

Lipinsky:
logP: 6.723
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 92
Number of rings: 5

     

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