General Information of the Compound
| Compound ID |
CP0366409
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)pyrimidin-4-yloxy)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18FN7O2
|
||||||||||||||||||
| Molecular Weight |
407.409
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(OC2CCN(CC2)c2cc(Oc3cccc(c3)C#N)ncn2)ncc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18FN7O2/c21-16-11-24-20(27-19(16)23)30-14-4-6-28(7-5-14)17-9-18(26-12-25-17)29-15-3-1-2-13(8-15)10-22/h1-3,8-9,11-12,14H,4-7H2,(H2,23,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJNZQTHLMCMQDQ-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