COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446376
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(prop-2-en-1-ylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: C=CCN/C=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 352.34
Empirical Formula: C15H11F3N4OS

Physical State: Dry powder
Available Amount: 245 mg

Lipinsky:
logP: 5.084
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 3

     

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