General Information of the Compound
Compound ID
CP0416198
Compound Name
N-(1-adamantyl)-2-(5-phenyl-1-prop-2-enylindol-3-yl)acetamide
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Structure
Formula
C29H32N2O
Molecular Weight
424.588
Canonical SMILES
C=CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1
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InChI
InChI=1S/C29H32N2O/c1-2-10-31-19-25(26-14-24(8-9-27(26)31)23-6-4-3-5-7-23)15-28(32)30-29-16-20-11-21(17-29)13-22(12-20)18-29/h2-9,14,19-22H,1,10-13,15-18H2,(H,30,32)
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InChIKey
BCDPRNYYJGZULD-UHFFFAOYSA-N
Physicochemical Property
logP
6.1218
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
34.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
32

"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: 60155009
ChEMBL ID
CHEMBL2087094
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 = 530 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 = 50 nM
   TI
   LI
   LO
   TS