COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741744
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenoxyphenyl)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)/Nc1ccccc1Oc1ccccc1

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Molecular Weight: 494.5
Empirical Formula: C25H17F3N4O2S

Physical State: Dry powder
Available Amount: 615 mg

Lipinsky:
logP: 8.052
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 5

     

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