General Information of the Compound
| Compound ID |
CP0532398
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(3,4-difluorophenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-(3-fluorophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25F3N4O3
|
||||||||||||||||||
| Molecular Weight |
498.505
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(NC(=O)Nc2cc(ccc2Oc2ccc(F)c(F)c2)C(=O)NCCN2CCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25F3N4O3/c27-18-4-3-5-19(15-18)31-26(35)32-23-14-17(25(34)30-10-13-33-11-1-2-12-33)6-9-24(23)36-20-7-8-21(28)22(29)16-20/h3-9,14-16H,1-2,10-13H2,(H,30,34)(H2,31,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBHFOTLCPRPWNS-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