COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK958858
Chemical Name: (4Z)-4-[5-bromo-3-iodo-2-(propan-2-yloxy)benzylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC(Oc1c(cc(cc1I)Br)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C)C

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Molecular Weight: 593.18
Empirical Formula: C21H17BrF3IN2O2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 7.012
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 41
Number of rings: 3

     

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