COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL023687
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(5-chloro-2-hydroxyphenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/Nc1cc(Cl)ccc1O

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Molecular Weight: 466.87
Empirical Formula: C20H14ClF3N4O2S

Physical State: Dry powder
Available Amount: 29 mg

Lipinsky:
logP: 7.626
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 106
Number of rings: 4

     

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