General Information of the Compound
Compound ID
CP0397518
Compound Name
1N-methyl-2-(8-fluoro-4-methyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-1-ethanamine
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Structure
Formula
C15H19FN2
Molecular Weight
246.329
Canonical SMILES
CNCCc1cn2C(C)CCc3cc(F)cc1c23
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InChI
InChI=1S/C15H19FN2/c1-10-3-4-11-7-13(16)8-14-12(5-6-17-2)9-18(10)15(11)14/h7-10,17H,3-6H2,1-2H3
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InChIKey
SRHCSDYGKWADRG-UHFFFAOYSA-N
Physicochemical Property
logP
3.0495
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
16.96
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 44383397
ChEMBL ID
CHEMBL170319
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1458 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 33 nM
   TI
   LI
   LO
   TS