COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK043030
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(heptylamino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCCCCN/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C

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Molecular Weight: 424.49
Empirical Formula: C20H23F3N4OS

Physical State: Dry powder
Available Amount: 620 mg

Lipinsky:
logP: 7.92
Rotatable bonds: 6
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 3

     

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