General Information of the Compound
Compound ID
CP0501590
Compound Name
N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-2-phenylacetamide
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Structure
Formula
C24H32N2O
Molecular Weight
364.533
Canonical SMILES
CCCN(CCCCNC(=O)Cc1ccccc1)C1Cc2ccccc2C1
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InChI
InChI=1S/C24H32N2O/c1-2-15-26(23-18-21-12-6-7-13-22(21)19-23)16-9-8-14-25-24(27)17-20-10-4-3-5-11-20/h3-7,10-13,23H,2,8-9,14-19H2,1H3,(H,25,27)
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InChIKey
XZIQPBDZWFZJRV-UHFFFAOYSA-N
Physicochemical Property
logP
4.0049
Rotatable Bonds
10
Heavy Atom Count
27
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 54582316
ChEMBL ID
CHEMBL1765637
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
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 2.7 nM
   TI
   LI
   LO
   TS
2
Ki = 250 nM
   TI
   LI
   LO
   TS