COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL357452
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(2-methoxyethyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COCCN/C=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 370.36
Empirical Formula: C15H13F3N4O2S

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 4.19
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 3

     

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