General Information of the Compound
| Compound ID |
CP0549619
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[1'-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29F3N4O3
|
||||||||||||||||||
| Molecular Weight |
526.559
|
||||||||||||||||||
| Canonical SMILES |
OCCN1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29F3N4O3/c29-28(30,31)38-21-11-9-20(10-12-21)32-26(37)33-23-6-2-4-8-25(23)35-19-27(22-5-1-3-7-24(22)35)13-15-34(16-14-27)17-18-36/h1-12,36H,13-19H2,(H2,32,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNDITEWNUACASZ-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