General Information of the Compound
Compound ID
CP0395712
Compound Name
2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
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Structure
Formula
C21H22N2O
Molecular Weight
318.42
Canonical SMILES
CC(NC(=O)c1cc(C)n(c1C)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C21H22N2O/c1-15-14-20(17(3)23(15)19-12-8-5-9-13-19)21(24)22-16(2)18-10-6-4-7-11-18/h4-14,16H,1-3H3,(H,22,24)
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InChIKey
YZQXPJFHKGVZHE-UHFFFAOYSA-N
Physicochemical Property
logP
4.58514
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
34.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 134150287
ChEMBL ID
CHEMBL3965599
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 = 2621.82 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 = 546.44 nM
   TI
   LI
   LO
   TS