General Information of the Compound
| Compound ID |
CP0858740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
endo-methyl 8-(bis(2-chlorophenyl)methyl)-3-(5-chloropyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ylcarbamate
Show/Hide
|
||||||||||||||||||
| Formula |
C27H26Cl3N3O2
|
||||||||||||||||||
| Molecular Weight |
530.883
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@]1(c2ccc(Cl)cn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26Cl3N3O2/c1-35-26(34)32-27(24-13-10-17(28)16-31-24)14-18-11-12-19(15-27)33(18)25(20-6-2-4-8-22(20)29)21-7-3-5-9-23(21)30/h2-10,13,16,18-19,25H,11-12,14-15H2,1H3,(H,32,34)/t18-,19+,27-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFUJUIWWNICISD-MZNYFNKISA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor