General Information of the Compound
| Compound ID |
CP0501339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-chlorophenethyl)-1-ethyl-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31ClN4O
|
||||||||||||||||||
| Molecular Weight |
451.014
|
||||||||||||||||||
| Canonical SMILES |
CCn1nc(C)c2C(CCc3ccc(Cl)cc3)N(CCc12)C(C(=O)NC)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31ClN4O/c1-4-31-23-16-17-30(25(26(32)28-3)20-8-6-5-7-9-20)22(24(23)18(2)29-31)15-12-19-10-13-21(27)14-11-19/h5-11,13-14,22,25H,4,12,15-17H2,1-3H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULALCBUGNVGAOF-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1