General Information of the Compound
| Compound ID |
CP0177301
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19N7O3
|
||||||||||||||||||
| Molecular Weight |
417.429
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnn(CC(O)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19N7O3/c22-20-23-8-14(9-24-20)13-2-4-16(5-3-13)21(6-1-7-21)19-26-18(31-27-19)15-10-25-28(11-15)12-17(29)30/h2-5,8-11H,1,6-7,12H2,(H,29,30)(H2,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTEGTUVFAVQLFE-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