General Information of the Compound
Compound ID
CP0389515
Compound Name
N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide
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Structure
Formula
C26H36N2O
Molecular Weight
392.587
Canonical SMILES
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCCCC1
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InChI
InChI=1S/C26H36N2O/c1-2-20-28(25-13-7-4-8-14-25)21-10-9-19-27-26(29)24-17-15-23(16-18-24)22-11-5-3-6-12-22/h3,5-6,11-12,15-18,25H,2,4,7-10,13-14,19-21H2,1H3,(H,27,29)
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InChIKey
DPLNSFBAHKTNGS-UHFFFAOYSA-N
Physicochemical Property
logP
5.9083
Rotatable Bonds
10
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: 25139481
SID: 56466521
ChEMBL ID
CHEMBL485227
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 4700 nM
   TI
   LI
   LO
   TS
2
Ki = 6300 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 140 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 670 nM
   TI
   LI
   LO
   TS