General Information of the Compound
Compound ID
CP0017087
Compound Name
(5-Fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)-methanone
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Structure
Formula
C18H13FN2O
Molecular Weight
292.313
Canonical SMILES
Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(F)ccc2[nH]1
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InChI
InChI=1S/C18H13FN2O/c1-10-3-2-4-15-13(10)9-17(21-15)18(22)16-8-11-7-12(19)5-6-14(11)20-16/h2-9,20-21H,1H3
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InChIKey
CJUIAVLIOOCWIE-UHFFFAOYSA-N
Physicochemical Property
logP
4.32772
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
48.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
22

"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: 11551046
SID: 16653247
ChEMBL ID
CHEMBL208640
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 = 2600 nM
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