General Information of the Compound
| Compound ID |
CP0542400
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(4-aminophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H35N3
|
||||||||||||||||||
| Molecular Weight |
341.543
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC1CCN(Cc2ccc(N)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H35N3/c1-21(2)17-8-11-22(21,3)20(14-17)24-19-9-12-25(13-10-19)15-16-4-6-18(23)7-5-16/h4-7,17,19-20,24H,8-15,23H2,1-3H3/t17-,20-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIYKQQFNVHITDL-ZNLUXHQJSA-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