General Information of the Compound
| Compound ID |
CP0232295
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8S)-N-[[2-(aminomethyl)cyclohexen-1-yl]methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H36N4
|
||||||||||||||||||
| Molecular Weight |
416.613
|
||||||||||||||||||
| Canonical SMILES |
NCC1=C(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H36N4/c28-16-22-8-2-4-10-24(22)18-31(26-13-5-11-20-12-6-14-29-27(20)26)19-25-15-21-7-1-3-9-23(21)17-30-25/h1,3,6-7,9,12,14,25-26,30H,2,4-5,8,10-11,13,15-19,28H2/t25-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HCZHUJUTBCLSTK-FTJBHMTQSA-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
Protein ID: PT02059, C-X-C chemokine receptor type 4
Protein ID: PT01266, Muscarinic acetylcholine receptor M3