General Information of the Compound
Compound ID
CP0525578
Compound Name
[9-[3-(dimethylamino)propyl]carbazol-3-yl]-piperidin-1-ylmethanone
    Show/Hide
Structure
Formula
C23H29N3O
Molecular Weight
363.505
Canonical SMILES
CN(C)CCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCCCC1
    Show/Hide
InChI
InChI=1S/C23H29N3O/c1-24(2)13-8-16-26-21-10-5-4-9-19(21)20-17-18(11-12-22(20)26)23(27)25-14-6-3-7-15-25/h4-5,9-12,17H,3,6-8,13-16H2,1-2H3
    Show/Hide
InChIKey
MFVCXSJFIFGLQU-UHFFFAOYSA-N
Physicochemical Property
logP
4.3723
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
28.48
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 56651353
SID: 134428736
ChEMBL ID
CHEMBL2441469
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 = 403 nM
   TI
   LI
   LO
   TS