General Information of the Compound
| Compound ID |
CP0475353
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F2N8O
|
||||||||||||||||||
| Molecular Weight |
438.442
|
||||||||||||||||||
| Canonical SMILES |
CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1cc(F)ccc1-n1nccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F2N8O/c1-3-29(21(32)18-12-17(23)8-9-19(18)31-24-10-11-25-31)14(2)13-30-27-20(26-28-30)15-4-6-16(22)7-5-15/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHBLBSQHRANVNC-AWEZNQCLSA-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