COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446113
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-{(1E)-N-[1-(tricyclo[3.3.1.1~3,7~]dec-2-yl)ethyl]ethanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: CC(C1C2CC3CC1CC(C2)C3)/N=C(/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2)\C

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Molecular Weight: 488.58
Empirical Formula: C25H27F3N4OS

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 8.253
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 7

     

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