General Information of the Compound
| Compound ID |
CP0887626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(piperidin-4-ylmethyl)-N-(((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34N4
|
||||||||||||||||||
| Molecular Weight |
390.575
|
||||||||||||||||||
| Canonical SMILES |
c1ccc2c(c1)CN[C@@H](CN(CC1CCNCC1)[C@H]1CCCc3cccnc31)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34N4/c1-2-6-22-16-28-23(15-21(22)5-1)18-29(17-19-10-13-26-14-11-19)24-9-3-7-20-8-4-12-27-25(20)24/h1-2,4-6,8,12,19,23-24,26,28H,3,7,9-11,13-18H2/t23-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRVUVRQOGYUYEH-RPWUZVMVSA-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