General Information of the Compound
| Compound ID |
CP0369140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16F4N4O
|
||||||||||||||||||
| Molecular Weight |
416.378
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)N2CCc3nccnc3[C@H]2c2ccc(cc2)C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16F4N4O/c22-15-5-7-16(8-6-15)28-20(30)29-12-9-17-18(27-11-10-26-17)19(29)13-1-3-14(4-2-13)21(23,24)25/h1-8,10-11,19H,9,12H2,(H,28,30)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDUBVWRDXFALAF-LJQANCHMSA-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