COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174115
Chemical Name: (4Z)-2-(4-bromophenyl)-4-(4-butoxy-3-iodo-5-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCOc1c(I)cc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(cc1)Br)C

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Molecular Weight: 569.24
Empirical Formula: C22H22BrIN2O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.432
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 3

     

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