General Information of the Compound
| Compound ID |
CP0381597
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-spiro[2H-indole-3,1'-cyclobutane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22F3N3O2
|
||||||||||||||||||
| Molecular Weight |
453.464
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CC3(CCC3)c3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22F3N3O2/c26-25(27,28)33-18-12-10-17(11-13-18)29-23(32)30-20-7-2-4-9-22(20)31-16-24(14-5-15-24)19-6-1-3-8-21(19)31/h1-4,6-13H,5,14-16H2,(H2,29,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVIUSCYDZGOMCR-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