General Information of the Compound
| Compound ID |
CP0055735
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dimethyl-imidazolidin-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C14H13BrN4O
|
||||||||||||||||||
| Molecular Weight |
333.189
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?
Show/Hide
|
||||||||||||||||||
| InChIKey |
OVVZEMAUZWSOHR-ZSUDRMHPSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A