General Information of the Compound
Compound ID
CP0388958
Compound Name
1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone
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Structure
Formula
C24H30N2O
Molecular Weight
362.517
Canonical SMILES
CCCCCn1c2ccccc2c2cc(ccc12)C(=O)CN1CCCCC1
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InChI
InChI=1S/C24H30N2O/c1-2-3-7-16-26-22-11-6-5-10-20(22)21-17-19(12-13-23(21)26)24(27)18-25-14-8-4-9-15-25/h5-6,10-13,17H,2-4,7-9,14-16,18H2,1H3
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InChIKey
XBLZZHYXIAAHDK-UHFFFAOYSA-N
Physicochemical Property
logP
5.6533
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 73348033
ChEMBL ID
CHEMBL2441264
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 = 1093 nM
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