General Information of the Compound
| Compound ID |
CP0101868
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((R)-(S)-8-Aza-bicyclo[3.2.1]oct-3-yl-phenyl-amino)-N,N-diethyl-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N3O
|
||||||||||||||||||
| Molecular Weight |
377.532
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)N(C1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N3O/c1-3-26(4-2)24(28)18-10-14-22(15-11-18)27(21-8-6-5-7-9-21)23-16-19-12-13-20(17-23)25-19/h5-11,14-15,19-20,23,25H,3-4,12-13,16-17H2,1-2H3/t19-,20+,23?
Show/Hide
|
||||||||||||||||||
| InChIKey |
MYTSDSWMJSRDRF-DETIRCLXSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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