General Information of the Compound
Compound ID
CP0133391
Compound Name
N,N,6-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-amine
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Structure
Formula
C19H22N2
Molecular Weight
278.399
Canonical SMILES
CN(C)c1ccc2CC3N(C)CCc4cccc(-c2c1)c34
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InChI
InChI=1S/C19H22N2/c1-20(2)15-8-7-14-11-18-19-13(9-10-21(18)3)5-4-6-16(19)17(14)12-15/h4-8,12,18H,9-11H2,1-3H3
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InChIKey
KKEZUZPTEQWDCZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5047
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
6.48
Hydrogen Bond Donor Count
0
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: 156013801
ChEMBL ID
CHEMBL4636329
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 458 nM
   TI
   LI
   LO
   TS
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1588 nM
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 17 nM
   TI
   LI
   LO
   TS