General Information of the Compound
Compound ID
CP0521461
Compound Name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide
    Show/Hide
Structure
Formula
C20H19NO2
Molecular Weight
305.377
Canonical SMILES
COc1ccc2cccc(CCNC(=O)c3ccccc3)c2c1
    Show/Hide
InChI
InChI=1S/C20H19NO2/c1-23-18-11-10-15-8-5-9-16(19(15)14-18)12-13-21-20(22)17-6-3-2-4-7-17/h2-11,14H,12-13H2,1H3,(H,21,22)
    Show/Hide
InChIKey
DIYJECSEAUYTCQ-UHFFFAOYSA-N
CAS
138112-87-5
Physicochemical Property
logP
3.8209
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 3071639
ChEMBL ID
CHEMBL34348
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: PT02130, Ribosyldihydronicotinamide dehydrogenase [quinone]
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 28.84 nM
   TI
   LI
   LO
   TS