General Information of the Compound
Compound ID
CP0501676
Compound Name
N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylbenzamide
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Structure
Formula
C26H28N2O
Molecular Weight
384.523
Canonical SMILES
CN(C)CC1CCc2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2C1
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InChI
InChI=1S/C26H28N2O/c1-28(2)18-19-12-13-22-17-23(15-14-21(22)16-19)27-26(29)25-11-7-6-10-24(25)20-8-4-3-5-9-20/h3-11,14-15,17,19H,12-13,16,18H2,1-2H3,(H,27,29)
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InChIKey
VFBMSRXQQVKWMY-UHFFFAOYSA-N
Physicochemical Property
logP
5.2724
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 21063019
ChEMBL ID
CHEMBL1818779
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS