General Information of the Compound
| Compound ID |
CP0515054
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 62
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21ClF3N5O2
|
||||||||||||||||||
| Molecular Weight |
515.923
|
||||||||||||||||||
| Canonical SMILES |
CNCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21ClF3N5O2/c1-13-18(26)8-5-9-19(13)33-24(36)16-10-14(11-20-22(16)34-21(32-20)12-30-2)31-23(35)15-6-3-4-7-17(15)25(27,28)29/h3-11,30H,12H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWZPFKYZVRHVBG-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