General Information of the Compound
Compound ID
CP0024831
Compound Name
(7-Ethyl-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)-methanone
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Structure
Formula
C19H16N2O2
Molecular Weight
304.349
Canonical SMILES
CCc1cccc2cc([nH]c12)C(=O)c1cc2cc(O)ccc2[nH]1
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InChI
InChI=1S/C19H16N2O2/c1-2-11-4-3-5-12-9-17(21-18(11)12)19(23)16-10-13-8-14(22)6-7-15(13)20-16/h3-10,20-22H,2H2,1H3
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InChIKey
HGCKYXAAMVCWOL-UHFFFAOYSA-N
Physicochemical Property
logP
4.1482
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
68.88
Hydrogen Bond Donor Count
3
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: 11616461
SID: 16719367
ChEMBL ID
CHEMBL208909
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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