General Information of the Compound
| Compound ID |
CP0418293
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 183
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21F5N4O4
|
||||||||||||||||||
| Molecular Weight |
500.424
|
||||||||||||||||||
| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(OC(F)(F)F)ccc34)cc2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21F5N4O4/c1-31-9-12-2-3-13(6-16(12)30-20(31)33)28-19(32)29-17-8-21(10-23,11-24)35-18-7-14(4-5-15(17)18)34-22(25,26)27/h2-7,17H,8-11H2,1H3,(H,30,33)(H2,28,29,32)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKIWFKAPOYAKEK-QGZVFWFLSA-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