General Information of the Compound
Compound ID
CP0542695
Compound Name
N'-(pyridine-2-carbonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide
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Structure
Formula
C15H11N5O2S
Molecular Weight
325.353
Canonical SMILES
O=C(NNC(=O)c1ccccn1)c1csc(n1)-c1cccnc1
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InChI
InChI=1S/C15H11N5O2S/c21-13(11-5-1-2-7-17-11)19-20-14(22)12-9-23-15(18-12)10-4-3-6-16-8-10/h1-9H,(H,19,21)(H,20,22)
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InChIKey
BWXWFLIPDDFCPP-UHFFFAOYSA-N
Physicochemical Property
logP
1.6749
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
96.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 145966325
ChEMBL ID
CHEMBL4209015
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 = 23200 nM
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   LI
   LO
   TS