General Information of the Compound
| Compound ID |
CP0161130
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[((1S,5R)-8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-phenyl-amino]-N,N-diethyl-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N3O
|
||||||||||||||||||
| Molecular Weight |
417.597
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)N(C1C[C@@H]2CC[C@H](C1)N2CC=C)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N3O/c1-4-18-29-24-16-17-25(29)20-26(19-24)30(22-10-8-7-9-11-22)23-14-12-21(13-15-23)27(31)28(5-2)6-3/h4,7-15,24-26H,1,5-6,16-20H2,2-3H3/t24-,25+,26?
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBBYTOZMJTVBRI-IQCGEYIDSA-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