General Information of the Compound
Compound ID
CP0390870
Compound Name
3-hydroxy-N'-[3-(trifluoromethyl)benzoyl]pyridine-2-carbohydrazide
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Structure
Formula
C14H10F3N3O3
Molecular Weight
325.246
Canonical SMILES
Oc1cccnc1C(=O)NNC(=O)c1cccc(c1)C(F)(F)F
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InChI
InChI=1S/C14H10F3N3O3/c15-14(16,17)9-4-1-3-8(7-9)12(22)19-20-13(23)11-10(21)5-2-6-18-11/h1-7,21H,(H,19,22)(H,20,23)
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InChIKey
KZLROINRZQNKFN-UHFFFAOYSA-N
Physicochemical Property
logP
1.8808
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
91.32
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 145978184
ChEMBL ID
CHEMBL4208105
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 = 14200 nM
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