General Information of the Compound
| Compound ID |
CP0547089
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-3-oxa-6-azabicyclo[3.1.1]heptane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H21N5O2
|
||||||||||||||||||
| Molecular Weight |
315.377
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccnn1CCCOc1cc(ncn1)N1C2CC1COC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H21N5O2/c1-12-3-4-19-20(12)5-2-6-23-16-8-15(17-11-18-16)21-13-7-14(21)10-22-9-13/h3-4,8,11,13-14H,2,5-7,9-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VARJLABYPSISMU-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