General Information of the Compound
Compound ID
CP0391290
Compound Name
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizin-1-yl)-methanol
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Structure
Formula
C15H26N2O
Molecular Weight
250.386
Canonical SMILES
CCCN(CCC)[C@H]1CCn2ccc(CO)c2C1
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InChI
InChI=1S/C15H26N2O/c1-3-7-16(8-4-2)14-6-10-17-9-5-13(12-18)15(17)11-14/h5,9,14,18H,3-4,6-8,10-12H2,1-2H3/t14-/m0/s1
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InChIKey
XBHUNPOHYIWVNE-AWEZNQCLSA-N
Physicochemical Property
logP
2.4172
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
28.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 44329312
ChEMBL ID
CHEMBL96998
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 > 100000 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 = 8000 nM
   TI
   LI
   LO
   TS
2
Ki = 55000 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 = 9700 nM
   TI
   LI
   LO
   TS
2
Ki = 9772.37 nM
   TI
   LI
   LO
   TS