General Information of the Compound
Compound ID
CP0409653
Compound Name
(R)-5-Dipropylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-ij]quinolin-2-one
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Structure
Formula
C16H23N3O
Molecular Weight
273.38
Canonical SMILES
CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
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InChI
InChI=1S/C16H23N3O/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20)/t13-/m1/s1
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InChIKey
UCZYAFAFGFTZEW-CYBMUJFWSA-N
CAS
132874-73-8
Physicochemical Property
logP
2.3763
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
41.03
Hydrogen Bond Donor Count
1
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: 131559
SID: 14872750
ChEMBL ID
CHEMBL26181
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 2.53 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1.7 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 11.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 21.8 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 27.1 nM
   TI
   LI
   LO
   TS