General Information of the Compound
Compound ID
CP0466560
Compound Name
4-(4-chlorophenyl)-N-[6-[[methoxy(methyl)amino]methyl]-7,8-dihydronaphthalen-2-yl]benzamide
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Structure
Formula
C26H25ClN2O2
Molecular Weight
432.951
Canonical SMILES
CON(C)CC1=Cc2ccc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1
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InChI
InChI=1S/C26H25ClN2O2/c1-29(31-2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-16H,3-4,17H2,1-2H3,(H,28,30)
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InChIKey
AFCDGAGWESIEFP-UHFFFAOYSA-N
Physicochemical Property
logP
6.0821
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 21939935
ChEMBL ID
CHEMBL1818796
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 = 380 nM
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