General Information of the Compound
Compound ID
CP0409472
Compound Name
((R)-1-Methyl-5,6,7,8-tetrahydro-indolizin-7-yl)-dipropyl-amine
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Structure
Formula
C15H26N2
Molecular Weight
234.387
Canonical SMILES
CCCN(CCC)[C@@H]1CCn2ccc(C)c2C1
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InChI
InChI=1S/C15H26N2/c1-4-8-16(9-5-2)14-7-11-17-10-6-13(3)15(17)12-14/h6,10,14H,4-5,7-9,11-12H2,1-3H3/t14-/m1/s1
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InChIKey
HCZAXFOGTCSPTF-CQSZACIVSA-N
Physicochemical Property
logP
3.23332
Rotatable Bonds
5
Heavy Atom Count
17
Polar Areas
8.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 44329099
ChEMBL ID
CHEMBL97750
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: PT01358, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 71000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01734, 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 = 1000 nM
   TI
   LI
   LO
   TS
2
Ki = 12000 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)  2
1
Ki = 1445.44 nM
   TI
   LI
   LO
   TS
2
Ki = 2100 nM
   TI
   LI
   LO
   TS