General Information of the Compound
Compound ID
CP0383647
Compound Name
N-(1-adamantyl)-5-(furan-2-yl)-1-prop-2-enylindole-3-carboxamide
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Structure
Formula
C26H28N2O2
Molecular Weight
400.522
Canonical SMILES
C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1
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InChI
InChI=1S/C26H28N2O2/c1-2-7-28-16-22(21-12-20(5-6-23(21)28)24-4-3-8-30-24)25(29)27-26-13-17-9-18(14-26)11-19(10-17)15-26/h2-6,8,12,16-19H,1,7,9-11,13-15H2,(H,27,29)
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InChIKey
FEUNOVMYZWJRQJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.7859
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
47.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 60155187
ChEMBL ID
CHEMBL2087106
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2794 nM
   TI
   LI
   LO
   TS
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 = 5.73 nM
   TI
   LI
   LO
   TS