General Information of the Compound
| Compound ID |
CP0497514
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20ClN3O2
|
||||||||||||||||||
| Molecular Weight |
369.852
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(c1)C1=NCC2(CCCC(C2)NC(=O)c2cccnc2)O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20ClN3O2/c21-16-6-1-4-14(10-16)19-23-13-20(26-19)8-2-7-17(11-20)24-18(25)15-5-3-9-22-12-15/h1,3-6,9-10,12,17H,2,7-8,11,13H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHCAVFLNPSPQFM-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