General Information of the Compound
| Compound ID |
CP0568353
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-1-[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26FN7O
|
||||||||||||||||||
| Molecular Weight |
447.518
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H](Cn1ccc(n1)-c1ccc(F)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26FN7O/c1-16(2)23(15-31-12-9-21(29-31)20-7-6-18(25)14-26-20)30(4)24(33)19-13-17(3)5-8-22(19)32-27-10-11-28-32/h5-14,16,23H,15H2,1-4H3/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPFFQAUSOZQYDP-HSZRJFAPSA-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1