COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK325888
Chemical Name: 1'-{(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-1,4'-bipiperidine-4'-carboxamide
Smiles: C/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/N1CCC(CC1)(C(=O)N)N1CCCCC1

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Saltdata: H2O
Molecular Weight: 520.58
Empirical Formula: C24H27F3N6O2S

Physical State: Dry powder
Available Amount: 206 mg

Lipinsky:
logP: 5.592
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 123
Number of rings: 5

     

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