General Information of the Compound
| Compound ID |
CP0394648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-biphenyl-4-yl-ureido)-4-(3,4-dimethyl-phenoxy)-N-(2-pyrrolidin-1-yl-ethyl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H36N4O3
|
||||||||||||||||||
| Molecular Weight |
548.687
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(cc2)-c2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H36N4O3/c1-24-10-16-30(22-25(24)2)41-32-17-13-28(33(39)35-18-21-38-19-6-7-20-38)23-31(32)37-34(40)36-29-14-11-27(12-15-29)26-8-4-3-5-9-26/h3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H,35,39)(H2,36,37,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOHYKQAGOKRKCR-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
Protein ID: PT03304, Melanin-concentrating hormone receptor 1