General Information of the Compound
Compound ID
CP0288601
Compound Name
(5,6-Dimethoxy-indan-2-yl)-dipropyl-amine
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Synonyms
1H-Inden-2-amine, 2,3-dihydro-5,6-dimethoxy-N,N-dipropyl-
2-Di-n-propylamino-5,6-dimethoxyindane
5,6-dimethoxy-n,n-dipropylindan-2-amine
82668-33-5
929J96FO8T
AC1L1KRQ
AC1Q56MX
API0008965
BDBM50107876
BPBio1_001223
Biomol-NT_000031
CCG-205281
CHEBI:93232
CHEMBL16410
DTXSID50274471
JPC 211
JPC-211
Lopac-U-116
Lopac0_001207
NCGC00016073-01
NCGC00016073-02
NCGC00025123-01
NCGC00025123-03
PNU-99,194
PNU-99194A free base
SCHEMBL2640137
TAM-67
Tocris-1357
U-99194A maleate
UNII-929J96FO8T
ZINC7459
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Structure
Formula
C17H27NO2
Molecular Weight
277.408
Canonical SMILES
CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1
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InChI
InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3
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InChIKey
UOLJKAPABHXFRE-UHFFFAOYSA-N
Physicochemical Property
logP
3.293
Rotatable Bonds
7
Heavy Atom Count
20
Polar Areas
21.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 5626
SID: 14799530
ChEMBL ID
CHEMBL16410
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 992 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01366, D(3) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 31 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( TAM-67 )
Drug Name TAM-67
Target(s)
Transcription factor AP-1 (JUN)
 Target Info 
Inhibitor