General Information of the Compound
Compound ID
CP0226455
Compound Name
4-(4-(pyridin-2-yl)thiazol-2-ylamino)phenol
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Structure
Formula
C14H11N3OS
Molecular Weight
269.329
Canonical SMILES
Oc1ccc(Nc2nc(cs2)-c2ccccn2)cc1
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InChI
InChI=1S/C14H11N3OS/c18-11-6-4-10(5-7-11)16-14-17-13(9-19-14)12-3-1-2-8-15-12/h1-9,18H,(H,16,17)
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InChIKey
GLAADHPXEHHDBC-UHFFFAOYSA-N
Physicochemical Property
logP
3.6543
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
58.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 704363
SID: 85241228
ChEMBL ID
CHEMBL579212
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: PT02021, Transitional endoplasmic reticulum ATPase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 < 1200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 230 nM