General Information of the Compound
| Compound ID |
CP0510562
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]pyridin-3-yl]methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22ClN5O2
|
||||||||||||||||||
| Molecular Weight |
435.915
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22ClN5O2/c1-14-9-18(21-7-8-27-29(21)3)17-5-4-6-22(23(17)28-14)31-13-19-16(11-26-15(2)30)10-25-12-20(19)24/h4-10,12H,11,13H2,1-3H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBFQLOVDDVFHSX-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