General Information of the Compound
Compound ID
CP0323727
Compound Name
US8575364, 57
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Structure
Formula
C18H21N
Molecular Weight
251.373
Canonical SMILES
Cc1ccc(cc1C)-c1ccccc1C1CCNC1
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InChI
InChI=1S/C18H21N/c1-13-7-8-15(11-14(13)2)17-5-3-4-6-18(17)16-9-10-19-12-16/h3-8,11,16,19H,9-10,12H2,1-2H3
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InChIKey
OASUTIBNORNIMF-UHFFFAOYSA-N
Physicochemical Property
logP
4.04734
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).

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PubChem ID
CID: 46205703
SID: 96059864
ChEMBL ID
CHEMBL3640603
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 = 55.94 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 55.94 nM