General Information of the Compound
Compound ID
CP0104544
Compound Name
bis(7-methoxy-1-benzofuran-2-yl)methanone
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Structure
Formula
C19H14O5
Molecular Weight
322.316
Canonical SMILES
COc1cccc2cc(oc12)C(=O)c1cc2cccc(OC)c2o1
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InChI
InChI=1S/C19H14O5/c1-21-13-7-3-5-11-9-15(23-18(11)13)17(20)16-10-12-6-4-8-14(22-2)19(12)24-16/h3-10H,1-2H3
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InChIKey
NJKZFKQLDOVFGO-UHFFFAOYSA-N
Physicochemical Property
logP
4.4272
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
61.81
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 13393482
ChEMBL ID
CHEMBL389234
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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000075 EoL-1 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS