General Information of the Compound
| Compound ID |
CP0565897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2315934
Show/Hide
|
||||||||||||||||||
| Formula |
C25H27F3N6O
|
||||||||||||||||||
| Molecular Weight |
484.526
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccn3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27F3N6O/c26-25(27,28)17-6-9-22-20(11-17)24(32-15-31-22)30-12-23(35)33-18-13-34(14-18)19-7-4-16(5-8-19)21-3-1-2-10-29-21/h1-3,6,9-11,15-16,18-19H,4-5,7-8,12-14H2,(H,33,35)(H,30,31,32)/t16-,19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTXJUGRGUSXVNX-UWUNEBHHSA-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