COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171136
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/Nc1ccc(cc1)Br

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Molecular Weight: 495.32
Empirical Formula: C20H14BrF3N4OS

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 7.776
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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