General Information of the Compound
Compound ID
CP0915709
Compound Name
1-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indole hydrochloride
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Structure
Formula
C14H19ClN2
Molecular Weight
250.773
Canonical SMILES
CN1CCC[C@@H]1Cn1ccc2ccccc21.Cl
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InChI
InChI=1S/C14H18N2.ClH/c1-15-9-4-6-13(15)11-16-10-8-12-5-2-3-7-14(12)16;/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3;1H/t13-;/m1./s1
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InChIKey
REWPWFUHLSKVBL-BTQNPOSSSA-N
Physicochemical Property
logP
3.1573
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
8.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 45265661
ChEMBL ID
CHEMBL539587
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 550 nM
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