General Information of the Compound
Compound ID
CP0522995
Compound Name
piperidin-1-yl-(9-propylcarbazol-3-yl)methanone
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Structure
Formula
C21H24N2O
Molecular Weight
320.436
Canonical SMILES
CCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCCCC1
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InChI
InChI=1S/C21H24N2O/c1-2-12-23-19-9-5-4-8-17(19)18-15-16(10-11-20(18)23)21(24)22-13-6-3-7-14-22/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3
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InChIKey
IJBUCAHOZIEBSM-UHFFFAOYSA-N
Physicochemical Property
logP
4.8306
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 73354104
ChEMBL ID
CHEMBL2441453
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 = 521 nM
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