General Information of the Compound
Compound ID
CP0490761
Compound Name
N-[3-[1-[5-[(2,2-diphenylacetyl)amino]pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
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Structure
Formula
C34H43N3O2
Molecular Weight
525.737
Canonical SMILES
CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCCCNC(=O)C(c2ccccc2)c2ccccc2)CC1
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InChI
InChI=1S/C34H43N3O2/c1-26(2)33(38)36-31-18-12-17-30(25-31)27-19-23-37(24-20-27)22-11-5-10-21-35-34(39)32(28-13-6-3-7-14-28)29-15-8-4-9-16-29/h3-4,6-9,12-18,25-27,32H,5,10-11,19-24H2,1-2H3,(H,35,39)(H,36,38)
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InChIKey
PZSAAJDAUJLGEO-UHFFFAOYSA-N
Physicochemical Property
logP
6.5791
Rotatable Bonds
12
Heavy Atom Count
39
Polar Areas
61.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
39

"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: 16755967
SID: 26744764
ChEMBL ID
CHEMBL243354
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)  1
1
Ki = 47 nM
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