General Information of the Compound
| Compound ID |
CP0920159
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
endo-8-(bis(2-chlorophenyl)methyl)-3-(5-fluoro-4-(fluoromethyl)pyridin-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C27H25Cl2F2N3O
|
||||||||||||||||||
| Molecular Weight |
516.419
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)[C@]1(c2cc(CF)c(F)cn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25Cl2F2N3O/c28-21-7-3-1-5-19(21)25(20-6-2-4-8-22(20)29)34-17-9-10-18(34)13-27(12-17,26(32)35)24-11-16(14-30)23(31)15-33-24/h1-8,11,15,17-18,25H,9-10,12-14H2,(H2,32,35)/t17-,18+,27-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPKSRBNQSLEJKY-SCDHDWPVSA-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