General Information of the Compound
Compound ID
CP0968994
Compound Name
(5-(1-Methyl-1H-benzo[d]imidazol-6-yl)-1H-indol-2-yl)methanamine
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Structure
Formula
C17H16N4
Molecular Weight
276.343
Canonical SMILES
Cn1cnc2ccc(-c3ccc4[nH]c(CN)cc4c3)cc21
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InChI
InChI=1S/C17H16N4/c1-21-10-19-16-5-3-12(8-17(16)21)11-2-4-15-13(6-11)7-14(9-18)20-15/h2-8,10,20H,9,18H2,1H3
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InChIKey
LXMKFCXDZBBBAJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.1803
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
59.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 134340839
ChEMBL ID
CHEMBL4573398
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 < 300 nM
   TI
   LI
   LO
   TS