General Information of the Compound
| Compound ID |
CP0497074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[3-(Benzo[1,3]dioxol-5-ylamino)-propoxy]-quinolin-2-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N3O3
|
||||||||||||||||||
| Molecular Weight |
337.379
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccc2cccc(OCCCNc3ccc4OCOc4c3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N3O3/c20-18-8-5-13-3-1-4-16(19(13)22-18)23-10-2-9-21-14-6-7-15-17(11-14)25-12-24-15/h1,3-8,11,21H,2,9-10,12H2,(H2,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXEXPDNJHFARRG-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