General Information of the Compound
Compound ID
CP0389961
Compound Name
N-[4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
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Structure
Formula
C18H19N3O2S2
Molecular Weight
373.503
Canonical SMILES
CCCc1cc(ccn1)-c1nc(cs1)-c1ccc(NS(C)(=O)=O)cc1
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InChI
InChI=1S/C18H19N3O2S2/c1-3-4-16-11-14(9-10-19-16)18-20-17(12-24-18)13-5-7-15(8-6-13)21-25(2,22)23/h5-12,21H,3-4H2,1-2H3
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InChIKey
OWAXXHRQPWGNTG-UHFFFAOYSA-N
Physicochemical Property
logP
4.1961
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
71.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 25012898
SID: 56356296
ChEMBL ID
CHEMBL1824673
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: PT06697, Sterol regulatory element-binding protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 700 nM
   TI
   LI
   LO
   TS
Protein ID: PT06460, Sterol regulatory element-binding protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 700 nM
   TI
   LI
   LO
   TS
2
IC50 = 1000 nM
   TI
   LI
   LO
   TS