General Information of the Compound
| Compound ID |
CP0922696
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16F3N5O3
|
||||||||||||||||||
| Molecular Weight |
395.341
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16F3N5O3/c1-10-7-8-24-15(21-10)23-25(16(24)27)9-14(26)22-11(2)12-3-5-13(6-4-12)28-17(18,19)20/h3-8,11H,9H2,1-2H3,(H,22,26)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDJLRYMLFYWTLQ-NSHDSACASA-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: PT06277, Probable G-protein coupled receptor 139
Protein ID: PT06789, Probable G-protein coupled receptor 139