General Information of the Compound
Compound ID
CP0514782
Compound Name
N-cycloheptyl-2-[5-(furan-2-yl)-1-prop-2-enylindol-3-yl]acetamide
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Structure
Formula
C24H28N2O2
Molecular Weight
376.5
Canonical SMILES
C=CCn1cc(CC(=O)NC2CCCCCC2)c2cc(ccc12)-c1ccco1
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InChI
InChI=1S/C24H28N2O2/c1-2-13-26-17-19(16-24(27)25-20-8-5-3-4-6-9-20)21-15-18(11-12-22(21)26)23-10-7-14-28-23/h2,7,10-12,14-15,17,20H,1,3-6,8-9,13,16H2,(H,25,27)
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InChIKey
NNXORNWNODXTCY-UHFFFAOYSA-N
Physicochemical Property
logP
5.4688
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
47.17
Hydrogen Bond Donor Count
1
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: 60154841
SID: 144085772
ChEMBL ID
CHEMBL2087088
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 > 10000 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 = 377 nM
   TI
   LI
   LO
   TS