General Information of the Compound
| Compound ID |
CP0011816
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[2-[3-(fluoromethyl)-5-methoxyanilino]-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18FN5O3
|
||||||||||||||||||
| Molecular Weight |
395.394
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CF)cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18FN5O3/c1-11-10-22-19(24-14-5-12(9-21)6-15(7-14)28-2)26-18(11)23-13-3-4-17-16(8-13)25-20(27)29-17/h3-8,10H,9H2,1-2H3,(H,25,27)(H2,22,23,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUWKGIFUJCSXAR-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