General Information of the Compound
Compound ID
CP0511050
Compound Name
(8-Furan-3-yl-chroman-3-yl)-dipropyl-amine
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Structure
Formula
C19H25NO2
Molecular Weight
299.414
Canonical SMILES
CCCN(CCC)C1COc2c(C1)cccc2-c1ccoc1
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InChI
InChI=1S/C19H25NO2/c1-3-9-20(10-4-2)17-12-15-6-5-7-18(19(15)22-14-17)16-8-11-21-13-16/h5-8,11,13,17H,3-4,9-10,12,14H2,1-2H3
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InChIKey
PYRDKFKAOMQLLU-UHFFFAOYSA-N
Physicochemical Property
logP
4.3721
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
25.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 44286891
ChEMBL ID
CHEMBL38580
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
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki = 47.5 nM
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