COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170879
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C/NC1CCCCCCC1)C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 422.47
Empirical Formula: C20H21F3N4OS

Available Amount: 0 mg

Lipinsky:
logP: 7.368
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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