General Information of the Compound
| Compound ID |
CP0491031
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-((5-(3-methoxyphenyl)isoquinolin- 8-yl)methyl)spiro[2.5]octane-1- carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N2O2
|
||||||||||||||||||
| Molecular Weight |
400.522
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-c1ccc(CNC(=O)C2CC22CCCCC2)c2cnccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N2O2/c1-30-20-7-5-6-18(14-20)21-9-8-19(23-17-27-13-10-22(21)23)16-28-25(29)24-15-26(24)11-3-2-4-12-26/h5-10,13-14,17,24H,2-4,11-12,15-16H2,1H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJEGKCQCXDJWIP-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