General Information of the Compound
| Compound ID |
CP0570915
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(4-cyanophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C22H22N4O2
|
||||||||||||||||||
| Molecular Weight |
374.444
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(cc4)C#N)C3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O2/c1-25-9-8-19-10-17(4-7-21(19)25)12-24-22(27)26-13-18(14-26)15-28-20-5-2-16(11-23)3-6-20/h2-10,18H,12-15H2,1H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQHBOKVREHRZHR-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 | |||||||||||||||||||
| 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