General Information of the Compound
| Compound ID |
CP0549422
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[6-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N4O6S
|
||||||||||||||||||
| Molecular Weight |
484.534
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(\C=C3/SC(=O)NC3=O)cc2)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O6S/c1-3-31-23(30)27-10-8-17(9-11-27)33-21-14(2)20(24-13-25-21)32-16-6-4-15(5-7-16)12-18-19(28)26-22(29)34-18/h4-7,12-13,17H,3,8-11H2,1-2H3,(H,26,28,29)/b18-12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKKOTJOIKPIHCW-PDGQHHTCSA-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