General Information of the Compound
| Compound ID |
CP0184555
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Thiomorpholin-4-yl-but-2-ynoic acid [4-(3-bromo-phenylamino)-3-cyano-quinolin-6-yl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20BrN5OS
|
||||||||||||||||||
| Molecular Weight |
506.429
|
||||||||||||||||||
| Canonical SMILES |
Brc1cccc(Nc2c(cnc3ccc(NC(=O)C#CCN4CCSCC4)cc23)C#N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20BrN5OS/c25-18-3-1-4-19(13-18)29-24-17(15-26)16-27-22-7-6-20(14-21(22)24)28-23(31)5-2-8-30-9-11-32-12-10-30/h1,3-4,6-7,13-14,16H,8-12H2,(H,27,29)(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSDJJHLEMPHMFB-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