General Information of the Compound
| Compound ID |
CP0861379
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-5-((1H-indol-3-yl)methylene)-3-methyl-2-(methylimino)imidazolidin-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C14H14N4O
|
||||||||||||||||||
| Molecular Weight |
254.293
|
||||||||||||||||||
| Canonical SMILES |
C/N=C1/N/C(=C/c2c[nH]c3ccccc23)C(=O)N1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H14N4O/c1-15-14-17-12(13(19)18(14)2)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,16H,1-2H3,(H,15,17)/b12-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYSZFLKTAHSXMS-KPKJPENVSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT02507, 5-hydroxytryptamine receptor 1E
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C