COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169470
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-(morpholin-4-ylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: O=c1n([nH]c(c1/C=N/N1CCOCC1)C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 397.38
Empirical Formula: C16H14F3N5O2S

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 3.617
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 4

     

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