General Information of the Compound
Compound ID
CP0029239
Compound Name
[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(6-methoxy-1H-indol-2-yl)methanone
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Structure
Formula
C22H23N3O3
Molecular Weight
377.444
Canonical SMILES
COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1
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InChI
InChI=1S/C22H23N3O3/c1-25(2)8-9-28-17-6-7-18-15(10-17)12-21(23-18)22(26)20-11-14-4-5-16(27-3)13-19(14)24-20/h4-7,10-13,23-24H,8-9H2,1-3H3
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InChIKey
UMAAJZWIMZYNQE-UHFFFAOYSA-N
Physicochemical Property
logP
3.8292
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
70.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 11509096
SID: 16611030
ChEMBL ID
CHEMBL377873
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 = 6700 nM
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