General Information of the Compound
| Compound ID |
CP0409752
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(4-chlorothiophen-2-yl)methoxy]-1-(2-cyclopropyl-3-methylbenzimidazol-5-yl)pyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
411.914
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(nc2ccc(cc12)-n1ccc(OCc2cc(Cl)cs2)cc1=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18ClN3O2S/c1-24-19-9-15(4-5-18(19)23-21(24)13-2-3-13)25-7-6-16(10-20(25)26)27-11-17-8-14(22)12-28-17/h4-10,12-13H,2-3,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXAWNJXZMKQLSK-UHFFFAOYSA-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT01388, Melanin-concentrating hormone receptor 1