COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446465
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-{[2-(4-methoxyphenyl)ethyl]imino}methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)CC/N=C/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 446.45
Empirical Formula: C21H17F3N4O2S

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 6.718
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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