General Information of the Compound
| Compound ID |
CP0867054
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-endo-{8-[2-(3-sec-butyl-1-cyclohexylmethyl-ureido)ethyl]-8-azabicyclo[3.2.1]oct-3-yl}benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H44N4O2
|
||||||||||||||||||
| Molecular Weight |
468.686
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)NC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H44N4O2/c1-3-20(2)30-28(34)31(19-21-8-5-4-6-9-21)14-15-32-25-12-13-26(32)18-24(17-25)22-10-7-11-23(16-22)27(29)33/h7,10-11,16,20-21,24-26H,3-6,8-9,12-15,17-19H2,1-2H3,(H2,29,33)(H,30,34)/t20?,24-,25+,26-
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMKPXMBYJOSBBK-KJASELGPSA-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