General Information of the Compound
| Compound ID |
CP0416321
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl (3S)-3-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]piperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H37N5O2
|
||||||||||||||||||
| Molecular Weight |
451.615
|
||||||||||||||||||
| Canonical SMILES |
NCCCCN(C[C@H]1CN(CCN1)C(=O)OCc1ccccc1)[C@H]1CCCc2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37N5O2/c27-13-4-5-16-30(24-12-6-10-22-11-7-14-29-25(22)24)18-23-19-31(17-15-28-23)26(32)33-20-21-8-2-1-3-9-21/h1-3,7-9,11,14,23-24,28H,4-6,10,12-13,15-20,27H2/t23-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZHUHYRWCIYDBB-ZEQRLZLVSA-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