General Information of the Compound
Compound ID
CP0395713
Compound Name
2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
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Structure
Formula
C22H24N2O
Molecular Weight
332.447
Canonical SMILES
CCc1c(cc(C)n1-c1ccccc1)C(=O)NC(C)c1ccccc1
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InChI
InChI=1S/C22H24N2O/c1-4-21-20(15-16(2)24(21)19-13-9-6-10-14-19)22(25)23-17(3)18-11-7-5-8-12-18/h5-15,17H,4H2,1-3H3,(H,23,25)
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InChIKey
LIJXONKSNLKXIX-UHFFFAOYSA-N
Physicochemical Property
logP
4.83912
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
34.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 134133334
ChEMBL ID
CHEMBL3897733
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 = 3736.7 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 = 540.1 nM
   TI
   LI
   LO
   TS