General Information of the Compound
Compound ID
CP0568369
Compound Name
7-(1-benzylpyrrolo[3,2-c]quinolin-4-yl)-2-oxa-7-azaspiro[3.4]octane
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Structure
Formula
C24H23N3O
Molecular Weight
369.468
Canonical SMILES
C(c1ccccc1)n1ccc2c(nc3ccccc3c12)N1CCC2(COC2)C1
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InChI
InChI=1S/C24H23N3O/c1-2-6-18(7-3-1)14-26-12-10-20-22(26)19-8-4-5-9-21(19)25-23(20)27-13-11-24(15-27)16-28-17-24/h1-10,12H,11,13-17H2
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InChIKey
FXLAYJYSKVUBHQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4645
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
30.29
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 168276831
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 992 nM
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