General Information of the Compound
Compound ID
CP0948230
Compound Name
(6-Fluoro-7-methyl-1H-indol-2-yl)methanamine
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Structure
Formula
C10H11FN2
Molecular Weight
178.21
Canonical SMILES
Cc1c(F)ccc2cc(CN)[nH]c12
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InChI
InChI=1S/C10H11FN2/c1-6-9(11)3-2-7-4-8(5-12)13-10(6)7/h2-4,13H,5,12H2,1H3
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InChIKey
JQUSGAXNXFXYCJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.07412
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
41.81
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
13

"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: 23004680
ChEMBL ID
CHEMBL4556001
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: PT04868, Lysyl oxidase homolog 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
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   LI
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   TS