General Information of the Compound
| Compound ID |
CP0501546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-4-fluoro-5-({7-[3-({[2-(morpholin-4-yl)ethyl]amino}methyl)phenyl]quinolin-4-yl}amino)phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
507.009
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(Nc2ccnc3cc(ccc23)-c2cccc(CNCCN3CCOCC3)c2)c(F)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28ClFN4O2/c29-23-16-24(30)27(17-28(23)35)33-25-6-7-32-26-15-21(4-5-22(25)26)20-3-1-2-19(14-20)18-31-8-9-34-10-12-36-13-11-34/h1-7,14-17,31,35H,8-13,18H2,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWEPTXFPNVUYJW-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