General Information of the Compound
Compound ID
CP0515373
Compound Name
N-[6-amino-5-(2-chloro-5-methoxyphenyl)pyridin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
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Structure
Formula
C17H15ClN4O3
Molecular Weight
358.785
Canonical SMILES
COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2conc2C)nc1N
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InChI
InChI=1S/C17H15ClN4O3/c1-9-13(8-25-22-9)17(23)21-15-6-4-11(16(19)20-15)12-7-10(24-2)3-5-14(12)18/h3-8H,1-2H3,(H3,19,20,21,23)
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InChIKey
RKNXQTWHCQJWPQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.54152
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
103.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 25159056
SID: 57253172
ChEMBL ID
CHEMBL3589903
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: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 500 nM
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