General Information of the Compound
| Compound ID |
CP0467653
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28ClN5O2
|
||||||||||||||||||
| Molecular Weight |
441.963
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(CN3CCN(CC3)c3cccc(Cl)c3)cn(CCNC(C)=O)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28ClN5O2/c1-17(30)25-8-9-29-16-18(21-6-7-22(31-2)26-23(21)29)15-27-10-12-28(13-11-27)20-5-3-4-19(24)14-20/h3-7,14,16H,8-13,15H2,1-2H3,(H,25,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZKFXOIWOSSUEC-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