General Information of the Compound
| Compound ID |
CP0392740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3R)-3-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-morpholin-4-ylethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H41N5O2
|
||||||||||||||||||
| Molecular Weight |
491.68
|
||||||||||||||||||
| Canonical SMILES |
NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H41N5O2/c30-12-3-4-14-33(27-11-5-9-23-10-6-13-31-29(23)27)21-26-19-24-7-1-2-8-25(24)20-34(26)22-28(35)32-15-17-36-18-16-32/h1-2,6-8,10,13,26-27H,3-5,9,11-12,14-22,30H2/t26-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CSBQEOIXCUQRGT-SXOMAYOGSA-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