General Information of the Compound
| Compound ID |
CP0572183
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-yl]-3H-isoindol-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16FN5O
|
||||||||||||||||||
| Molecular Weight |
337.358
|
||||||||||||||||||
| Canonical SMILES |
CC(CF)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16FN5O/c1-12(9-19)24-11-20-22-17(24)15-7-4-8-16(21-15)23-10-13-5-2-3-6-14(13)18(23)25/h2-8,11-12H,9-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LXDZRWLAHWDNAD-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