General Information of the Compound
| Compound ID |
CP0500790
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(2-aminopyridin-4-yl)-N-(3-cyanophenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C22H19N5O2
|
||||||||||||||||||
| Molecular Weight |
385.427
|
||||||||||||||||||
| Canonical SMILES |
Nc1cc(ccn1)-c1ccc2OCCN(Cc2c1)C(=O)Nc1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19N5O2/c23-13-15-2-1-3-19(10-15)26-22(28)27-8-9-29-20-5-4-16(11-18(20)14-27)17-6-7-25-21(24)12-17/h1-7,10-12H,8-9,14H2,(H2,24,25)(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWFUQVAPDVWAQX-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
Protein ID: PT03750, Probable G-protein coupled receptor 142
Protein ID: PT06102, Probable G-protein coupled receptor 142