General Information of the Compound
| Compound ID |
CP0128627
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H18Cl2N6O2
|
||||||||||||||||||
| Molecular Weight |
517.376
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cn1)C#N)c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H18Cl2N6O2/c1-32-25(36)34(21-9-19(27)8-20(28)10-21)24(35)26(32)15-33(23-7-4-17(12-30)13-31-23)14-22(26)18-5-2-16(11-29)3-6-18/h2-10,13,22H,14-15H2,1H3/t22-,26+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DRNHEYGHOPJSOW-BKMJKUGQSA-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