General Information of the Compound
Compound ID
CP0343176
Compound Name
US8575364, 65
    Show/Hide
Structure
Formula
C16H15Cl2N
Molecular Weight
292.209
Canonical SMILES
Clc1cccc(c1)-c1ccc(Cl)cc1C1CCNC1
    Show/Hide
InChI
InChI=1S/C16H15Cl2N/c17-13-3-1-2-11(8-13)15-5-4-14(18)9-16(15)12-6-7-19-10-12/h1-5,8-9,12,19H,6-7,10H2
    Show/Hide
InChIKey
KMOGJVNCLXUDAA-UHFFFAOYSA-N
Physicochemical Property
logP
4.7373
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"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
PubChem ID
CID: 46206025
SID: 96060209
ChEMBL ID
CHEMBL3640610
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: PT01746, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 129.99 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 129.99 nM