General Information of the Compound
Compound ID
CP0532739
Compound Name
2-(3-fluorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
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Structure
Formula
C16H11FN4O2S
Molecular Weight
342.355
Canonical SMILES
Fc1cccc(c1)-c1nc(cs1)C(=O)NNC(=O)c1ccccn1
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InChI
InChI=1S/C16H11FN4O2S/c17-11-5-3-4-10(8-11)16-19-13(9-24-16)15(23)21-20-14(22)12-6-1-2-7-18-12/h1-9H,(H,20,22)(H,21,23)
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InChIKey
DLTUUIVKEVBNCF-UHFFFAOYSA-N
Physicochemical Property
logP
2.419
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
83.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 145969832
ChEMBL ID
CHEMBL4218186
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 = 2600 nM
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