General Information of the Compound
| Compound ID |
CP0469210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25F3N4O2
|
||||||||||||||||||
| Molecular Weight |
482.506
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CC3(CCNCC3)c3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25F3N4O2/c27-26(28,29)35-19-11-9-18(10-12-19)31-24(34)32-21-6-2-4-8-23(21)33-17-25(13-15-30-16-14-25)20-5-1-3-7-22(20)33/h1-12,30H,13-17H2,(H2,31,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VICBISWWTBVDOF-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