General Information of the Compound
| Compound ID |
CP0553921
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C18H19N5O2
|
||||||||||||||||||
| Molecular Weight |
337.383
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1ccnc2ncnn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19N5O2/c1-25-15-6-4-13(5-7-15)17(24)22-10-2-3-14(11-22)16-8-9-19-18-20-12-21-23(16)18/h4-9,12,14H,2-3,10-11H2,1H3/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCZAUBCLCFIOLN-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 | |||||||||||||||||||
| 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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A