General Information of the Compound
| Compound ID |
CP0864931
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-endo-(8-{2-[(2-hydroxyacetyl)-(2,2,3,3-tetramethyl-cyclopropylmethyl)amino]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C26H39N3O3
|
||||||||||||||||||
| Molecular Weight |
441.616
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)C(CN(CCN2[C@@H]3CC[C@H]2C[C@@H](c2cccc(C(N)=O)c2)C3)C(=O)CO)C1(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H39N3O3/c1-25(2)22(26(25,3)4)15-28(23(31)16-30)10-11-29-20-8-9-21(29)14-19(13-20)17-6-5-7-18(12-17)24(27)32/h5-7,12,19-22,30H,8-11,13-16H2,1-4H3,(H2,27,32)/t19-,20+,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUTGMQFWSVIDJF-WKCHPHFGSA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor