General Information of the Compound
| Compound ID |
CP0461824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-methoxy-4-methylamino-8-(4-methyl-piperazin-1-yl)-quinoline-2-carboxylic acid (4-morpholin-4-yl-phenyl)amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N6O3
|
||||||||||||||||||
| Molecular Weight |
490.608
|
||||||||||||||||||
| Canonical SMILES |
CNc1cc(nc2c(cc(OC)cc12)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N6O3/c1-28-23-18-24(27(34)29-19-4-6-20(7-5-19)32-12-14-36-15-13-32)30-26-22(23)16-21(35-3)17-25(26)33-10-8-31(2)9-11-33/h4-7,16-18H,8-15H2,1-3H3,(H,28,30)(H,29,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SLPCESKZSKOAHD-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