General Information of the Compound
| Compound ID |
CP0509709
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-[[6-(methoxymethyl)pyridin-2-yl]methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30N4O
|
||||||||||||||||||
| Molecular Weight |
354.498
|
||||||||||||||||||
| Canonical SMILES |
COCc1cccc(CN(CCCCN)C2CCCc3cccnc23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30N4O/c1-26-16-19-10-5-9-18(24-19)15-25(14-3-2-12-22)20-11-4-7-17-8-6-13-23-21(17)20/h5-6,8-10,13,20H,2-4,7,11-12,14-16,22H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCIHURYPYFZKKV-UHFFFAOYSA-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