General Information of the Compound
| Compound ID |
CP0426158
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-methyl-5-[6-[4-(4-methylpiperazin-1-yl)anilino]-3-piperidin-1-ylpyridin-2-yl]oxyphenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38N6O2
|
||||||||||||||||||
| Molecular Weight |
526.685
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ccc(N3CCCCC3)c(Oc3ccc(C)c(NC(=O)C=C)c3)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38N6O2/c1-4-30(38)33-27-22-26(13-8-23(27)2)39-31-28(37-16-6-5-7-17-37)14-15-29(34-31)32-24-9-11-25(12-10-24)36-20-18-35(3)19-21-36/h4,8-15,22H,1,5-7,16-21H2,2-3H3,(H,32,34)(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTZMKTRBHXYEOB-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