General Information of the Compound
Compound ID
CP0471537
Compound Name
2-(1-methylimidazol-4-yl)-4-(1H-triazol-4-yl)pyridine
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Structure
Formula
C11H10N6
Molecular Weight
226.243
Canonical SMILES
Cn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1
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InChI
InChI=1S/C11H10N6/c1-17-6-11(13-7-17)9-4-8(2-3-12-9)10-5-14-16-15-10/h2-7H,1H3,(H,14,15,16)
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InChIKey
JMBGPAGLZBKRJX-UHFFFAOYSA-N
Physicochemical Property
logP
1.2672
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
72.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 118956738
ChEMBL ID
CHEMBL4281254
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: PT02548, Histone lysine demethylase PHF8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 100 nM
   TI
   LI
   LO
   TS
Protein ID: PT03776, Lysine-specific demethylase 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 100 nM
   TI
   LI
   LO
   TS