General Information of the Compound
| Compound ID |
CP0437947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4520212
Show/Hide
|
||||||||||||||||||
| Formula |
C25H37N3O3
|
||||||||||||||||||
| Molecular Weight |
427.589
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H37N3O3/c1-31-25(30)27(17-18-6-3-2-4-7-18)12-13-28-22-10-11-23(28)16-21(15-22)19-8-5-9-20(14-19)24(26)29/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,29)/t21-,22+,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OLNWJINXIKBGQW-NUNAXRQHSA-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 | |||||||||||||||||||
| 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: PT01200, Delta-type opioid receptor
Protein ID: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor