General Information of the Compound
| Compound ID |
CP0563192
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-propyl-4-[[4-(2,2,2-trifluoroethylamino)furo[3,2-d]pyrimidin-2-yl]amino]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18F3N5O2
|
||||||||||||||||||
| Molecular Weight |
393.369
|
||||||||||||||||||
| Canonical SMILES |
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3occc3n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18F3N5O2/c1-2-8-22-16(27)11-3-5-12(6-4-11)24-17-25-13-7-9-28-14(13)15(26-17)23-10-18(19,20)21/h3-7,9H,2,8,10H2,1H3,(H,22,27)(H2,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSNUBNZYKGSKKY-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