General Information of the Compound
Compound ID
CP0260705
Compound Name
5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
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Structure
Formula
C19H12ClN3O4
Molecular Weight
381.775
Canonical SMILES
OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cncc4cccnc34)oc12
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InChI
InChI=1S/C19H12ClN3O4/c20-12-4-11-5-13(27-17(11)14(6-12)19(25)26)8-23-18(24)15-9-21-7-10-2-1-3-22-16(10)15/h1-7,9H,8H2,(H,23,24)(H,25,26)
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InChIKey
ULIMXARMEIZWAX-UHFFFAOYSA-N
Physicochemical Property
logP
3.6576
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
105.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 164866457
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: PT03644, Stimulator of interferon genes protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000348 H69AR Homo sapiens (Human)  1
1
EC50 = 59000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 18000 nM
2 EC50 = 21000 nM
3 IC50 = 5200 nM
4 IC50 = 23000 nM
Protein ID: PT05006, Stimulator of interferon genes protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000584 RAW-Lucia ISG Mus musculus (Mouse)  1
1
EC50 = 75000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 14000 nM
2 IC50 = 2300 nM