General Information of the Compound
Compound ID
CP0568393
Compound Name
1-[(3-chlorophenyl)methyl]-4-(3-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
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Structure
Formula
C24H24ClN3O
Molecular Weight
405.929
Canonical SMILES
COC1CCCN(C1)c1nc2ccccc2c2n(Cc3cccc(Cl)c3)ccc12
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InChI
InChI=1S/C24H24ClN3O/c1-29-19-8-5-12-28(16-19)24-21-11-13-27(15-17-6-4-7-18(25)14-17)23(21)20-9-2-3-10-22(20)26-24/h2-4,6-7,9-11,13-14,19H,5,8,12,15-16H2,1H3
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InChIKey
FMSZCTWJSSBAGE-UHFFFAOYSA-N
Physicochemical Property
logP
5.5064
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
30.29
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 168280347
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 = 350 nM
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