General Information of the Compound
| Compound ID |
CP0001527
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)furan-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H15N3O2
|
||||||||||||||||||
| Molecular Weight |
245.282
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CC2CNCC(C2)C1)c1cc(co1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H15N3O2/c14-3-9-2-12(18-8-9)13(17)16-6-10-1-11(7-16)5-15-4-10/h2,8,10-11,15H,1,4-7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVICTLGKGURDRL-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