General Information of the Compound
Compound ID
CP0351995
Compound Name
5-hydroxybenzo[b]furan-2-yl-(5-hydroxy-1Hindol-2-yl)methanone
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Structure
Formula
C17H11NO4
Molecular Weight
293.278
Canonical SMILES
Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2o1
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InChI
InChI=1S/C17H11NO4/c19-11-1-3-13-9(5-11)7-14(18-13)17(21)16-8-10-6-12(20)2-4-15(10)22-16/h1-8,18-20H
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InChIKey
ZKIUEEGLQKCTHN-UHFFFAOYSA-N
Physicochemical Property
logP
3.5563
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
86.46
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 44423636
ChEMBL ID
CHEMBL226184
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 = 270 nM
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