General Information of the Compound
Compound ID
CP0496324
Compound Name
(2-cyclopentyl-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
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Structure
Formula
C24H33N3O
Molecular Weight
379.548
Canonical SMILES
CC1CCN(CC1)C(=O)c1ccc2n(C)c3CCN(Cc3c2c1)C1CCCC1
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InChI
InChI=1S/C24H33N3O/c1-17-9-12-26(13-10-17)24(28)18-7-8-22-20(15-18)21-16-27(19-5-3-4-6-19)14-11-23(21)25(22)2/h7-8,15,17,19H,3-6,9-14,16H2,1-2H3
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InChIKey
AMHQJYVBDKPZSA-UHFFFAOYSA-N
Physicochemical Property
logP
4.3511
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
28.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 57396231
ChEMBL ID
CHEMBL1950343
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
EC50 = 77 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 32 nM
   TI
   LI
   LO
   TS