General Information of the Compound
Compound ID
CP0029245
Compound Name
(4-Fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)-methanone
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Structure
Formula
C18H13FN2O2
Molecular Weight
308.312
Canonical SMILES
COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(F)cccc2[nH]1
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InChI
InChI=1S/C18H13FN2O2/c1-23-11-5-6-14-10(7-11)8-16(20-14)18(22)17-9-12-13(19)3-2-4-15(12)21-17/h2-9,20-21H,1H3
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InChIKey
NQWPCNQKYBJRMR-UHFFFAOYSA-N
Physicochemical Property
logP
4.0279
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
57.88
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 11594711
SID: 16697332
ChEMBL ID
CHEMBL210368
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 = 10000 nM
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   LI
   LO
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