General Information of the Compound
Compound ID
CP0024830
Compound Name
(4-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)c1cc2c(F)cccc2[nH]1
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InChI
InChI=1S/C17H11FN2O2/c18-12-2-1-3-14-11(12)8-16(20-14)17(22)15-7-9-6-10(21)4-5-13(9)19-15/h1-8,19-21H
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InChIKey
PSNYTMURLBIIQI-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: 11558401
SID: 16660624
ChEMBL ID
CHEMBL209823
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 = 340 nM
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   LI
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