General Information of the Compound
Compound ID
CP0648125
Compound Name
N-(4-methoxyphenyl)pyridine-2-carboxamide
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Structure
Formula
C13H12N2O2
Molecular Weight
228.251
Canonical SMILES
COc1ccc(NC(=O)c2ccccn2)cc1
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InChI
InChI=1S/C13H12N2O2/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12/h2-9H,1H3,(H,15,16)
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InChIKey
BRCJAMLWPTZSER-UHFFFAOYSA-N
Physicochemical Property
logP
2.3425
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 821516
ChEMBL ID
CHEMBL1360977
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 16360.1 nM
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Protein ID: PT06101, Latent membrane protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 48531 nM
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