General Information of the Compound
| Compound ID |
CP0325337
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((5S,9R)-3-(3,5-Dichlorophenyl)-1-methyl-2,4-dioxo-7-(pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonan-9-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H19Cl2N5O2
|
||||||||||||||||||
| Molecular Weight |
492.366
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccccn1)c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19Cl2N5O2/c1-30-24(34)32(20-11-18(26)10-19(27)12-20)23(33)25(30)15-31(22-4-2-3-9-29-22)14-21(25)17-7-5-16(13-28)6-8-17/h2-12,21H,14-15H2,1H3/t21-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OERBTZBYLXYWQC-SQJMNOBHSA-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