General Information of the Compound
| Compound ID |
CP0521519
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 86
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24ClF3N4O2
|
||||||||||||||||||
| Molecular Weight |
528.962
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3C(F)(F)F)cc3[nH]c(nc23)C(C)(C)C)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24ClF3N4O2/c1-14-9-10-15(12-20(14)28)32-24(37)18-11-16(13-21-22(18)35-25(34-21)26(2,3)4)33-23(36)17-7-5-6-8-19(17)27(29,30)31/h5-13H,1-4H3,(H,32,37)(H,33,36)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGNSSBVETWKRRE-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