General Information of the Compound
Compound ID
CP0026268
Compound Name
(7-Fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)-methanone
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Structure
Formula
C17H11FN2O2
Molecular Weight
294.285
Canonical SMILES
Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cccc(F)c2[nH]1
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InChI
InChI=1S/C17H11FN2O2/c18-12-3-1-2-9-7-15(20-16(9)12)17(22)14-8-10-6-11(21)4-5-13(10)19-14/h1-8,19-21H
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InChIKey
NPSPALWEQRTVQA-UHFFFAOYSA-N
Physicochemical Property
logP
3.7249
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
68.88
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
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: 11594510
SID: 16697118
ChEMBL ID
CHEMBL207578
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