COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741763
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-bromophenyl)propanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: CC/C(=N\c1ccc(cc1)Br)/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 495.32
Empirical Formula: C20H14BrF3N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.778
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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