General Information of the Compound
Compound ID
CP0429005
Compound Name
N-[3-[3-(piperidine-1-carbonyl)carbazol-9-yl]propyl]methanesulfonamide
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Structure
Formula
C22H27N3O3S
Molecular Weight
413.543
Canonical SMILES
CS(=O)(=O)NCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCCCC1
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InChI
InChI=1S/C22H27N3O3S/c1-29(27,28)23-12-7-15-25-20-9-4-3-8-18(20)19-16-17(10-11-21(19)25)22(26)24-13-5-2-6-14-24/h3-4,8-11,16,23H,2,5-7,12-15H2,1H3
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InChIKey
VZAFOXSCFBBHKO-UHFFFAOYSA-N
Physicochemical Property
logP
3.3599
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
71.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 73349578
ChEMBL ID
CHEMBL2441464
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 7.3 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 62 nM
   TI
   LI
   LO
   TS