General Information of the Compound
| Compound ID |
CP0502193
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClF3N5O4
|
||||||||||||||||||
| Molecular Weight |
499.877
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClF3N5O4/c22-17-11-14(21(23,24)25)13-26-19(17)28-3-5-29(6-4-28)20(31)16-12-15(30(32)33)1-2-18(16)27-7-9-34-10-8-27/h1-2,11-13H,3-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQGSEYJCECECSS-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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2