General Information of the Compound
Compound ID
CP0557637
Compound Name
US8575364, 59
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Structure
Formula
C17H19N
Molecular Weight
237.346
Canonical SMILES
Cc1ccccc1-c1ccccc1C1CCNC1
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InChI
InChI=1S/C17H19N/c1-13-6-2-3-7-15(13)17-9-5-4-8-16(17)14-10-11-18-12-14/h2-9,14,18H,10-12H2,1H3
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InChIKey
YQNOOZMWLPLZPJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.73892
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 46206019
SID: 96060203
ChEMBL ID
CHEMBL3640605
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 = 209.99 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 209.99 nM