General Information of the Compound
| Compound ID |
CP0558780
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 4-[6-[2,5-difluoro-4-(pyrrolidine-1-carbonyl)phenyl]triazolo[4,5-c]pyridin-3-yl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28F2N6O3
|
||||||||||||||||||
| Molecular Weight |
498.534
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)n1nnc2cc(ncc12)-c1cc(F)c(cc1F)C(=O)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28F2N6O3/c1-15(2)36-25(35)32-9-5-16(6-10-32)33-23-14-28-21(13-22(23)29-30-33)17-11-20(27)18(12-19(17)26)24(34)31-7-3-4-8-31/h11-16H,3-10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPSQVUOAZMEKNE-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