COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL240026
Chemical Name: (4E)-4-{[(2-bromophenyl)amino]methylidene}-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/Nc1ccccc1Br)C1CCS(=O)(=O)C1

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Molecular Weight: 398.28
Empirical Formula: C15H16BrN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.033
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 3

     

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