General Information of the Compound
| Compound ID |
CP0580031
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-[[(3R,5S)-7-cyclohexyl-3-hydroxy-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]pyridin-2-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N4O2
|
||||||||||||||||||
| Molecular Weight |
430.552
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1CN(Cc2ccc(nc2)-c2ccc(cc2)C#N)[C@@]2(CCN(C3CCCCC3)C2=O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N4O2/c27-15-19-6-9-21(10-7-19)24-11-8-20(16-28-24)17-29-18-23(31)14-26(29)12-13-30(25(26)32)22-4-2-1-3-5-22/h6-11,16,22-23,31H,1-5,12-14,17-18H2/t23-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQYFADOZOPNVKM-BVAGGSTKSA-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