General Information of the Compound
| Compound ID |
CP0568937
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N6O2
|
||||||||||||||||||
| Molecular Weight |
378.436
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)N1CC[C@H](O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N6O2/c21-18-22-10-14(11-23-18)13-2-4-15(5-3-13)20(7-1-8-20)17-24-19(28-25-17)26-9-6-16(27)12-26/h2-5,10-11,16,27H,1,6-9,12H2,(H2,21,22,23)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOSJALSMQXVYAR-INIZCTEOSA-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