General Information of the Compound
Compound ID
CP0429008
Compound Name
[9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone
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Structure
Formula
C22H26N2O2
Molecular Weight
350.462
Canonical SMILES
COCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCCCC1
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InChI
InChI=1S/C22H26N2O2/c1-26-15-7-14-24-20-9-4-3-8-18(20)19-16-17(10-11-21(19)24)22(25)23-12-5-2-6-13-23/h3-4,8-11,16H,2,5-7,12-15H2,1H3
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InChIKey
DVTOQMKFJZNXIT-UHFFFAOYSA-N
Physicochemical Property
logP
4.4571
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
34.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 56651354
SID: 134428737
ChEMBL ID
CHEMBL2441466
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 83 nM
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