General Information of the Compound
Compound ID
CP0478649
Compound Name
N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide
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Structure
Formula
C18H28N2O
Molecular Weight
288.435
Canonical SMILES
CCCN(CCCCNC(C)=O)C1Cc2ccccc2C1
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InChI
InChI=1S/C18H28N2O/c1-3-11-20(12-7-6-10-19-15(2)21)18-13-16-8-4-5-9-17(16)14-18/h4-5,8-9,18H,3,6-7,10-14H2,1-2H3,(H,19,21)
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InChIKey
AOMZLKZZYNTVAW-UHFFFAOYSA-N
Physicochemical Property
logP
2.7821
Rotatable Bonds
8
Heavy Atom Count
21
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 52937773
SID: 123077834
ChEMBL ID
CHEMBL1765635
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 = 330 nM
   TI
   LI
   LO
   TS
2
Ki = 410 nM
   TI
   LI
   LO
   TS