General Information of the Compound
| Compound ID |
CP0455517
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[N-[10-[N-(2-acetamidoethyl)-3-methoxyanilino]decyl]-3-methoxyanilino]ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H50N4O4
|
||||||||||||||||||
| Molecular Weight |
554.776
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)N(CCCCCCCCCCN(CCNC(C)=O)c1cccc(OC)c1)CCNC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H50N4O4/c1-27(37)33-19-23-35(29-15-13-17-31(25-29)39-3)21-11-9-7-5-6-8-10-12-22-36(24-20-34-28(2)38)30-16-14-18-32(26-30)40-4/h13-18,25-26H,5-12,19-24H2,1-4H3,(H,33,37)(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVCHGAWTQLVAJX-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B