General Information of the Compound
| Compound ID |
CP0378838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 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 |
C28H32Cl2N4O3S
|
||||||||||||||||||
| Molecular Weight |
575.562
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32Cl2N4O3S/c1-37-28(36)32-25(17-20-8-9-22(29)18-24(20)30)27(35)34-14-12-33(13-15-34)26-7-3-2-5-21(26)19-31-11-10-23-6-4-16-38-23/h2-9,16,18,25,31H,10-15,17,19H2,1H3,(H,32,36)/t25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
STSKLVUCFFVQGJ-RUZDIDTESA-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