General Information of the Compound
Compound ID
CP0549061
Compound Name
2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
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Structure
Formula
C17H14N4O3S
Molecular Weight
354.391
Canonical SMILES
COc1ccc(cc1)-c1nc(cs1)C(=O)NNC(=O)c1ccccn1
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InChI
InChI=1S/C17H14N4O3S/c1-24-12-7-5-11(6-8-12)17-19-14(10-25-17)16(23)21-20-15(22)13-4-2-3-9-18-13/h2-10H,1H3,(H,20,22)(H,21,23)
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InChIKey
OXEAWFDPMOXIFR-UHFFFAOYSA-N
Physicochemical Property
logP
2.2885
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
93.21
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 27662197
ChEMBL ID
CHEMBL4205022
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: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3090 nM
   TI
   LI
   LO
   TS