General Information of the Compound
| Compound ID |
CP0404786
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34Cl2N4O3S
|
||||||||||||||||||
| Molecular Weight |
589.589
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34Cl2N4O3S/c1-2-38-29(37)33-26(18-21-9-10-23(30)19-25(21)31)28(36)35-15-13-34(14-16-35)27-8-4-3-6-22(27)20-32-12-11-24-7-5-17-39-24/h3-10,17,19,26,32H,2,11-16,18,20H2,1H3,(H,33,37)/t26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MTHZQNMVJGFKRT-AREMUKBSSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4