General Information of the Compound
Compound ID
CP0429010
Compound Name
N,N-diethyl-9-pentylcarbazole-3-carboxamide
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Structure
Formula
C22H28N2O
Molecular Weight
336.479
Canonical SMILES
CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N(CC)CC
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InChI
InChI=1S/C22H28N2O/c1-4-7-10-15-24-20-12-9-8-11-18(20)19-16-17(13-14-21(19)24)22(25)23(5-2)6-3/h8-9,11-14,16H,4-7,10,15H2,1-3H3
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InChIKey
KPTWUUQQFGTICM-UHFFFAOYSA-N
Physicochemical Property
logP
5.4667
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 56650683
SID: 134428076
ChEMBL ID
CHEMBL2441252
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 = 51.8 nM
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