General Information of the Compound
Compound ID
CP0490760
Compound Name
N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
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Structure
Formula
C33H41N3O2
Molecular Weight
511.71
Canonical SMILES
CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1
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InChI
InChI=1S/C33H41N3O2/c1-24(2)32(37)35-29-16-15-25(3)30(23-29)26-17-21-36(22-18-26)20-10-19-34-33(38)31(27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-16,23-24,26,31H,10,17-22H2,1-3H3,(H,34,38)(H,35,37)
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InChIKey
UBAAMKRAOLDWBF-UHFFFAOYSA-N
Physicochemical Property
logP
6.10732
Rotatable Bonds
10
Heavy Atom Count
38
Polar Areas
61.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
38

"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: 16756073
SID: 26744871
ChEMBL ID
CHEMBL242689
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: PT01388, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 27 nM
   TI
   LI
   LO
   TS
2
Ki = 3 nM
   TI
   LI
   LO
   TS