General Information of the Compound
| Compound ID |
CP0520242
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 24
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20ClF3N4O3
|
||||||||||||||||||
| Molecular Weight |
516.907
|
||||||||||||||||||
| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCc1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20ClF3N4O3/c1-36-13-21-32-20-11-15(31-24(35)16-7-3-4-8-18(16)25(27,28)29)10-17(22(20)33-21)23(34)30-12-14-6-2-5-9-19(14)26/h2-11H,12-13H2,1H3,(H,30,34)(H,31,35)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKTOQBIOLVPXRD-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