General Information of the Compound
Compound ID
CP0017088
Compound Name
(5-Methoxy-1H-indol-2-yl)-(5-methyl-1H-indol-2-yl)-methanone
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Structure
Formula
C19H16N2O2
Molecular Weight
304.349
Canonical SMILES
COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(C)ccc2[nH]1
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InChI
InChI=1S/C19H16N2O2/c1-11-3-5-15-12(7-11)9-17(20-15)19(22)18-10-13-8-14(23-2)4-6-16(13)21-18/h3-10,20-21H,1-2H3
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InChIKey
ABQGCWNEYZRYSY-UHFFFAOYSA-N
Physicochemical Property
logP
4.19722
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: 11594651
SID: 16697273
ChEMBL ID
CHEMBL210956
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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