COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143076
Chemical Name: N'-{(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanehydrazide
Smiles: CC(CC(=O)NN/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C)C

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Molecular Weight: 425.43
Empirical Formula: C18H18F3N5O2S

Physical State: Dry powder
Available Amount: 445 mg

Lipinsky:
logP: 5.579
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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