General Information of the Compound
Compound ID
CP0015007
Compound Name
2-methylpyrido[4,3-b]indole;hydroiodide
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Structure
Formula
C12H11IN2
Molecular Weight
310.138
Canonical SMILES
I.Cn1ccc2nc3ccccc3c2c1
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InChI
InChI=1S/C12H10N2.HI/c1-14-7-6-12-10(8-14)9-4-2-3-5-11(9)13-12;/h2-8H,1H3;1H
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InChIKey
RFHYRRSTSZAGPX-UHFFFAOYSA-N
Physicochemical Property
logP
3.2961
Rotatable Bonds
0
Heavy Atom Count
15
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 46228115
ChEMBL ID
CHEMBL596112
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: PT00820, Acetylcholinesterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 8700 nM
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