General Information of the Compound
| Compound ID |
CP0567441
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-16-(4-piperidin-1-ylphenyl)-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H44N2O3
|
||||||||||||||||||
| Molecular Weight |
540.748
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1c1ccc(cc1)N1CCCCC1)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H44N2O3/c1-38-28-13-10-25-20-29-33-14-15-35(39-2,27(21-33)24-8-11-26(12-9-24)36-17-4-3-5-18-36)32-34(33,30(25)31(28)40-32)16-19-37(29)22-23-6-7-23/h8-13,23,27,29,32H,3-7,14-22H2,1-2H3/t27-,29-,32-,33-,34+,35-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FUOGGFONJGKYNE-YSZDWGKDSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor