General Information of the Compound
| Compound ID |
CP0930777
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187424, 202
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23F6N5O3
|
||||||||||||||||||
| Molecular Weight |
555.479
|
||||||||||||||||||
| Canonical SMILES |
COCc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23F6N5O3/c1-38-14-15-3-5-16(6-4-15)19-13-23(25(29,30)31,32-22(37)20(19)21-33-35-36-34-21)17-7-9-18(10-8-17)39-12-2-11-24(26,27)28/h3-10H,2,11-14H2,1H3,(H,32,37)(H,33,34,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWKCANMQAVTPER-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