General Information of the Compound
Compound ID
CP0467854
Compound Name
5-[(5S)-5-methyl-4-propylmorpholin-2-yl]-N,N-dipropylpyridin-2-amine
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Structure
Formula
C19H33N3O
Molecular Weight
319.493
Canonical SMILES
CCCN(CCC)c1ccc(cn1)C1CN(CCC)[C@@H](C)CO1
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InChI
InChI=1S/C19H33N3O/c1-5-10-21(11-6-2)19-9-8-17(13-20-19)18-14-22(12-7-3)16(4)15-23-18/h8-9,13,16,18H,5-7,10-12,14-15H2,1-4H3/t16-,18?/m0/s1
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InChIKey
GMNZPHIBCDMEFH-ATNAJCNCSA-N
Physicochemical Property
logP
3.8798
Rotatable Bonds
8
Heavy Atom Count
23
Polar Areas
28.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 155195495
ChEMBL ID
CHEMBL4562186
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 8240 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 21100 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS