General Information of the Compound
| Compound ID |
CP0430349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (E)-2-[(2S,6'S,7'S,8'aS)-6'-ethyl-4-(furan-3-yl)-3-oxospiro[1H-indole-2,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N2O5
|
||||||||||||||||||
| Molecular Weight |
450.535
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H]1CN2CC[C@]3(Nc4cccc(-c5ccoc5)c4C3=O)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N2O5/c1-4-16-13-28-10-9-26(22(28)12-19(16)20(15-31-2)25(30)32-3)24(29)23-18(17-8-11-33-14-17)6-5-7-21(23)27-26/h5-8,11,14-16,19,22,27H,4,9-10,12-13H2,1-3H3/b20-15+/t16-,19+,22+,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWOZMHXOJGIQFO-BHKYNAABSA-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: PT01791, Delta-type opioid receptor
Protein ID: PT02264, Kappa-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor