General Information of the Compound
| Compound ID |
CP0867412
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Amino-7-benzoyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4Hpyrano[2,3-c]pyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17N3O3
|
||||||||||||||||||
| Molecular Weight |
371.396
|
||||||||||||||||||
| Canonical SMILES |
N#CC1=C(N)OC2=C(C(=O)CN(C(=O)c3ccccc3)C2)C1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17N3O3/c23-11-16-19(14-7-3-1-4-8-14)20-17(26)12-25(13-18(20)28-21(16)24)22(27)15-9-5-2-6-10-15/h1-10,19H,12-13,24H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUTHMPIDKXKDPE-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
Protein ID: PT04012, Excitatory amino acid transporter 1
Protein ID: PT03541, Excitatory amino acid transporter 2
Protein ID: PT03879, Excitatory amino acid transporter 3