General Information of the Compound
Compound ID
CP0502568
Compound Name
2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)thiazole-5-sulfonamide
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Structure
Formula
C15H16F3N3O3S2
Molecular Weight
407.439
Canonical SMILES
NS(=O)(=O)c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
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InChI
InChI=1S/C15H16F3N3O3S2/c16-15(17,18)11-3-1-2-4-12(11)24-10-5-7-21(8-6-10)14-20-9-13(25-14)26(19,22)23/h1-4,9-10H,5-8H2,(H2,19,22,23)
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InChIKey
UTVXGMXIEZCHNS-UHFFFAOYSA-N
Physicochemical Property
logP
2.8571
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
85.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46880764
ChEMBL ID
CHEMBL1081112
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01587, Stearoyl-CoA desaturase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 1019 nM
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