General Information of the Compound
Compound ID
CP0359783
Compound Name
US8575364, 51
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Structure
Formula
C16H17N
Molecular Weight
223.319
Canonical SMILES
C1CC(CN1)c1ccccc1-c1ccccc1
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InChI
InChI=1S/C16H17N/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)14-10-11-17-12-14/h1-9,14,17H,10-12H2
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InChIKey
URLRIIFRDIEZBT-UHFFFAOYSA-N
Physicochemical Property
logP
3.4305
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 46205697
SID: 96059858
ChEMBL ID
CHEMBL3640598
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 = 120.01 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 120.01 nM