General Information of the Compound
Compound ID
CP0556844
Compound Name
N-[2-(4-chlorophenyl)ethyl]-9-pentylcarbazole-3-carboxamide
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Structure
Formula
C26H27ClN2O
Molecular Weight
418.968
Canonical SMILES
CCCCCn1c2ccccc2c2cc(ccc12)C(=O)NCCc1ccc(Cl)cc1
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InChI
InChI=1S/C26H27ClN2O/c1-2-3-6-17-29-24-8-5-4-7-22(24)23-18-20(11-14-25(23)29)26(30)28-16-15-19-9-12-21(27)13-10-19/h4-5,7-14,18H,2-3,6,15-17H2,1H3,(H,28,30)
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InChIKey
ZHOSUVSORHKTJV-UHFFFAOYSA-N
Physicochemical Property
logP
6.6106
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
34.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 56650338
SID: 134427727
ChEMBL ID
CHEMBL2441258
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 = 3594 nM
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