General Information of the Compound
Compound ID
CP0883142
Compound Name
(R)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-3-carboxylic acid ethyl ester
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Structure
Formula
C17H28N2O2
Molecular Weight
292.423
Canonical SMILES
CCCN(CCC)[C@@H]1CCn2c(ccc2C(=O)OCC)C1
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InChI
InChI=1S/C17H28N2O2/c1-4-10-18(11-5-2)14-9-12-19-15(13-14)7-8-16(19)17(20)21-6-3/h7-8,14H,4-6,9-13H2,1-3H3/t14-/m1/s1
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InChIKey
ROZJLRVGVXVODO-CQSZACIVSA-N
Physicochemical Property
logP
3.1016
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
34.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 11243315
SID: 16327827
ChEMBL ID
CHEMBL191938
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: 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 = 323.59 nM
   TI
   LI
   LO
   TS