General Information of the Compound
| Compound ID |
CP0874917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-endo-Hydroxy-3-exo-methyl 8-azabicyclo[3.2.1]oct-8-yl)naphthalene-1-carbonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C19H20N2O
|
||||||||||||||||||
| Molecular Weight |
292.382
|
||||||||||||||||||
| Canonical SMILES |
C[C@]1(O)C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N2O/c1-19(22)10-14-7-8-15(11-19)21(14)18-9-6-13(12-20)16-4-2-3-5-17(16)18/h2-6,9,14-15,22H,7-8,10-11H2,1H3/t14-,15+,19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYPBJIBUDRIKSD-QWHZDKJVSA-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