General Information of the Compound
| Compound ID |
CP0572748
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-4-[4-[2-fluoro-6-(trifluoromethyl)phenoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrrole-2,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H11ClF4N4O3
|
||||||||||||||||||
| Molecular Weight |
442.756
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1Oc1ncnc2CN(CCc12)C1=C(Cl)C(=O)NC1=O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H11ClF4N4O3/c19-12-13(16(29)26-15(12)28)27-5-4-8-11(6-27)24-7-25-17(8)30-14-9(18(21,22)23)2-1-3-10(14)20/h1-3,7H,4-6H2,(H,26,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMWAITNJZLJFHO-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 | |||||||||||||||||||
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