General Information of the Compound
Compound ID
CP0018310
Compound Name
(1H-indol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone
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Structure
Formula
C18H14N2O2
Molecular Weight
290.322
Canonical SMILES
COc1cccc2[nH]c(cc12)C(=O)c1cc2ccccc2[nH]1
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InChI
InChI=1S/C18H14N2O2/c1-22-17-8-4-7-14-12(17)10-16(20-14)18(21)15-9-11-5-2-3-6-13(11)19-15/h2-10,19-20H,1H3
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InChIKey
STMPCWQMPXGILR-UHFFFAOYSA-N
Physicochemical Property
logP
3.8888
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
57.88
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 11543838
SID: 16646002
ChEMBL ID
CHEMBL206894
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 = 4400 nM
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