General Information of the Compound
Compound ID
CP0171800
Compound Name
3-Dipropylamino-chroman-5-ol
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Structure
Formula
C15H23NO2
Molecular Weight
249.354
Canonical SMILES
CCCN(CCC)C1COc2cccc(O)c2C1
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InChI
InChI=1S/C15H23NO2/c1-3-8-16(9-4-2)12-10-13-14(17)6-5-7-15(13)18-11-12/h5-7,12,17H,3-4,8-11H2,1-2H3
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InChIKey
QPVJRLOTNHJYTL-UHFFFAOYSA-N
CAS
109140-25-2
Physicochemical Property
logP
2.8177
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
32.7
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: 131001
SID: 14995581
ChEMBL ID
CHEMBL27995
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 > 3000 nM
   TI
   LI
   LO
   TS