General Information of the Compound
| Compound ID |
CP0471229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[6-[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridin-2-yl]-3H-isoindol-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N5O2
|
||||||||||||||||||
| Molecular Weight |
347.378
|
||||||||||||||||||
| Canonical SMILES |
O=C1N(Cc2ccccc12)c1cccc(n1)-c1nncn1CC1CCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N5O2/c25-19-15-5-2-1-4-13(15)10-24(19)17-7-3-6-16(21-17)18-22-20-12-23(18)11-14-8-9-26-14/h1-7,12,14H,8-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKJGUCDHDJGQAC-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