General Information of the Compound
| Compound ID |
CP0521279
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 206
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22F4N4O3
|
||||||||||||||||||
| Molecular Weight |
466.435
|
||||||||||||||||||
| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3C[C@](C)(CF)Oc4cc(ccc34)C(F)(F)F)cc2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22F4N4O3/c1-21(11-23)9-17(15-6-4-13(22(24,25)26)7-18(15)33-21)28-19(31)27-14-5-3-12-10-30(2)20(32)29-16(12)8-14/h3-8,17H,9-11H2,1-2H3,(H,29,32)(H2,27,28,31)/t17-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWWBHDVAEBYJEP-DYESRHJHSA-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