General Information of the Compound
| Compound ID |
CP0316452
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R)-N-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18F3N3O
|
||||||||||||||||||
| Molecular Weight |
397.4
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(cc1)[C@H]1N(CCc2ccccc12)C(=O)Nc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18F3N3O/c23-22(24,25)17-10-8-16(9-11-17)20-18-6-2-1-5-15(18)12-14-28(20)21(29)27-19-7-3-4-13-26-19/h1-11,13,20H,12,14H2,(H,26,27,29)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RREDPSSHBWAHDN-HXUWFJFHSA-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