COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171134
Chemical Name: 2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-4-[(E)-{[3-(trifluoromethyl)phenyl]imino}methyl]-1,2-dihydro-3H-pyrazol-3-one
Smiles: O=c1n([nH]c(c1/C=N/c1cccc(c1)C(F)(F)F)C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 456.37
Empirical Formula: C19H10F6N4OS

Physical State: Dry powder
Available Amount: 254 mg

Lipinsky:
logP: 7.733
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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