General Information of the Compound
Compound ID
CP0261685
Compound Name
(E)-6-((3,4-dihydroisoquinolin-2(1H)-yl)methyleneamino)-2,3-dihydro-1H-inden-1-ol
    Show/Hide
Formula
C19H20N2O
Molecular Weight
292.382
Canonical SMILES
OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1
    Show/Hide
InChI
InChI=1S/C19H20N2O/c22-19-8-6-15-5-7-17(11-18(15)19)20-13-21-10-9-14-3-1-2-4-16(14)12-21/h1-5,7,11,13,19,22H,6,8-10,12H2/b20-13+
    Show/Hide
InChIKey
NRDCOYNEQGSTGB-DEDYPNTBSA-N
Physicochemical Property
logP
3.3843
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
35.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL442093
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: 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 = 2700 nM
   TI
   LI
   LO
   TS