General Information of the Compound
Compound ID
CP0388959
Compound Name
N-(1-adamantyl)-9-pentylcarbazole-3-carboxamide
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Structure
Formula
C28H34N2O
Molecular Weight
414.593
Canonical SMILES
CCCCCn1c2ccccc2c2cc(ccc12)C(=O)NC12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C28H34N2O/c1-2-3-6-11-30-25-8-5-4-7-23(25)24-15-22(9-10-26(24)30)27(31)29-28-16-19-12-20(17-28)14-21(13-19)18-28/h4-5,7-10,15,19-21H,2-3,6,11-14,16-18H2,1H3,(H,29,31)
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InChIKey
NYYAXZBPWLXGNF-UHFFFAOYSA-N
Physicochemical Property
logP
6.6833
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
34.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
31

"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: 56651017
SID: 134428412
ChEMBL ID
CHEMBL2441257
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 = 288.5 nM
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