General Information of the Compound
Compound ID
CP0847016
Compound Name
(7R)-3-[(1E)-(hydroxyimino)methyl]-N,N-dipropyl-5,6,7,8-tetrahydroindolizin-7-amine
    Show/Hide
Structure
Formula
C15H25N3O
Molecular Weight
263.385
Canonical SMILES
CCCN(CCC)[C@@H]1CCn2c(/C=N/O)ccc2C1
    Show/Hide
InChI
InChI=1S/C15H25N3O/c1-3-8-17(9-4-2)13-7-10-18-14(11-13)5-6-15(18)12-16-19/h5-6,12-13,19H,3-4,7-11H2,1-2H3/b16-12+/t13-/m1/s1
    Show/Hide
InChIKey
PJDIIZOQXMDDPU-MLDYKZIASA-N
Physicochemical Property
logP
2.733
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
40.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11277053
SID: 16363737
ChEMBL ID
CHEMBL189834
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 = 2089.3 nM
   TI
   LI
   LO
   TS