General Information of the Compound
| Compound ID |
CP0425513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9120756, 41
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H21ClF6N4O2
|
||||||||||||||||||
| Molecular Weight |
594.943
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H21ClF6N4O2/c1-16(17-5-7-18(8-6-17)26(41)37-21-11-9-19(10-12-21)27(30,31)32)25(40)36-15-23-14-24(28(33,34)35)38-39(23)22-4-2-3-20(29)13-22/h2-14,16H,15H2,1H3,(H,36,40)(H,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGVOUZMWNYEUSC-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