General Information of the Compound
Compound ID
CP0264289
Compound Name
2-Dipropylamino-indan-5-ol
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Structure
Formula
C15H23NO
Molecular Weight
233.355
Canonical SMILES
CCCN(CCC)C1Cc2ccc(O)cc2C1
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InChI
InChI=1S/C15H23NO/c1-3-7-16(8-4-2)14-9-12-5-6-15(17)11-13(12)10-14/h5-6,11,14,17H,3-4,7-10H2,1-2H3
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InChIKey
CGVTXQCPDIZHAI-UHFFFAOYSA-N
Physicochemical Property
logP
2.9814
Rotatable Bonds
5
Heavy Atom Count
17
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 12728243
ChEMBL ID
CHEMBL16409
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: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 53 nM
   TI
   LI
   LO
   TS
Protein ID: PT01366, 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 = 14 nM
   TI
   LI
   LO
   TS