General Information of the Compound
Compound ID
CP0021114
Compound Name
(5-Hydroxy-1H-indol-2-yl)-(4-methoxy-1H-indol-2-yl)-methanone
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Structure
Formula
C18H14N2O3
Molecular Weight
306.321
Canonical SMILES
COc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1
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InChI
InChI=1S/C18H14N2O3/c1-23-17-4-2-3-14-12(17)9-16(20-14)18(22)15-8-10-7-11(21)5-6-13(10)19-15/h2-9,19-21H,1H3
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InChIKey
WITFQONUDHDARX-UHFFFAOYSA-N
Physicochemical Property
logP
3.5944
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
78.11
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 11652445
SID: 16755917
ChEMBL ID
CHEMBL210486
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 = 670 nM
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