COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL437311
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-chloro-4-fluorophenyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/Nc1ccc(c(c1)Cl)F

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Molecular Weight: 454.84
Empirical Formula: C19H11ClF4N4OS

Physical State: Dry powder
Available Amount: 437 mg

Lipinsky:
logP: 7.664
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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