COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL023604
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-{[4-chloro-2-(phenylcarbonyl)phenyl]imino}methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)/N=C/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 526.93
Empirical Formula: C25H14ClF3N4O2S

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 9.171
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 102
Number of rings: 5

     

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