General Information of the Compound
Compound ID
CP0557638
Compound Name
US8575364, 60
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Structure
Formula
C18H21N
Molecular Weight
251.373
Canonical SMILES
CN1CCC(C1)c1ccccc1-c1ccccc1C
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InChI
InChI=1S/C18H21N/c1-14-7-3-4-8-16(14)18-10-6-5-9-17(18)15-11-12-19(2)13-15/h3-10,15H,11-13H2,1-2H3
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InChIKey
FBKQBOIUAVUKOR-UHFFFAOYSA-N
Physicochemical Property
logP
4.08112
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
3.24
Hydrogen Bond Donor Count
0
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).

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PubChem ID
CID: 46206020
SID: 96060204
ChEMBL ID
CHEMBL3640606
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 = 329.99 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 329.99 nM