General Information of the Compound
| Compound ID |
CP0400795
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-[4-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]phenyl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H33NO5
|
||||||||||||||||||
| Molecular Weight |
511.618
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(cc1)-c1ccc(OCCCCOc2ccc3cccc(CCNC(C)=O)c3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H33NO5/c1-23(34)33-19-18-27-7-5-6-26-14-17-30(22-31(26)27)38-21-4-3-20-37-29-15-12-25(13-16-29)24-8-10-28(11-9-24)32(35)36-2/h5-17,22H,3-4,18-21H2,1-2H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
POTVIPHGYAOPMA-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